[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C178H173F4N25O20S6 — CID 159705671

IUPAC[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCC(C)[C@H]1CN(C(C)c2ccc(F)cc2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC(C)[C@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CCN1C(=O)c1ccccn1.C[C@H]1CN(C(=O)c2ccccn2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C33H29FN4O3S.C31H33FN4O3S.C30H31FN4O3S.C30H30FN3O3S.2C27H25N5O4S/c34-28-15-11-24(12-16-28)22-37-20-21-38(30(23-37)25-6-2-1-3-7-25)33(39)27-13-17-29(18-14-27)36-42(40,41)31-10-4-8-26-9-5-19-35-32(26)31;1-21(2)28-20-35(22(3)23-9-13-26(32)14-10-23)18-19-36(28)31(37)25-11-15-27(16-12-25)34-40(38,39)29-8-4-6-24-7-5-17-33-30(24)29;1-21(2)27-20-34(19-22-8-12-25(31)13-9-22)17-18-35(27)30(36)24-10-14-26(15-11-24)33-39(37,38)28-7-3-5-23-6-4-16-32-29(23)28;1-21-19-33(22(2)24-12-14-27(31)15-13-24)17-18-34(21)30(35)26-10-8-23(9-11-26)20-38(36,37)28-7-3-5-25-6-4-16-32-29(25)28;1-19-18-31(27(34)23-8-2-3-14-28-23)16-17-32(19)26(33)21-10-12-22(13-11-21)30-37(35,36)24-9-4-6-20-7-5-15-29-25(20)24;1-19-18-31(16-17-32(19)27(34)23-8-2-3-14-28-23)26(33)21-10-12-22(13-11-21)30-37(35,36)24-9-4-6-20-7-5-15-29-25(20)24/h1-19,30,36H,20-23H2;4-17,21-22,28,34H,18-20H2,1-3H3;3-16,21,27,33H,17-20H2,1-2H3;3-16,21-22H,17-20H2,1-2H3;2*2-15,19,30H,16-18H2,1H3/t30-;22?,28-;27-;21-,22?;2*19-/m111001/s1
InChIKeyMYEGTHLGXMMVPW-OVGDSBDLSA-N
MW3250.89 g/mol
LogP28.84
Rot. Bonds37

About [(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 159705671) has the molecular formula C178H173F4N25O20S6 and a molecular weight of 3250.89 g/mol. Its IUPAC name is [(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
PubChem CID159705671
Molecular FormulaC178H173F4N25O20S6
Molecular Weight3250.89 g/mol
Exact Mass3248.15
IUPAC Name[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCC(C)[C@H]1CN(C(C)c2ccc(F)cc2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC(C)[C@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CCN1C(=O)c1ccccn1.C[C@H]1CN(C(=O)c2ccccn2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C33H29FN4O3S.C31H33FN4O3S.C30H31FN4O3S.C30H30FN3O3S.2C27H25N5O4S/c34-28-15-11-24(12-16-28)22-37-20-21-38(30(23-37)25-6-2-1-3-7-25)33(39)27-13-17-29(18-14-27)36-42(40,41)31-10-4-8-26-9-5-19-35-32(26)31;1-21(2)28-20-35(22(3)23-9-13-26(32)14-10-23)18-19-36(28)31(37)25-11-15-27(16-12-25)34-40(38,39)29-8-4-6-24-7-5-17-33-30(24)29;1-21(2)27-20-34(19-22-8-12-25(31)13-9-22)17-18-35(27)30(36)24-10-14-26(15-11-24)33-39(37,38)28-7-3-5-23-6-4-16-32-29(23)28;1-21-19-33(22(2)24-12-14-27(31)15-13-24)17-18-34(21)30(35)26-10-8-23(9-11-26)20-38(36,37)28-7-3-5-25-6-4-16-32-29(25)28;1-19-18-31(27(34)23-8-2-3-14-28-23)16-17-32(19)26(33)21-10-12-22(13-11-21)30-37(35,36)24-9-4-6-20-7-5-15-29-25(20)24;1-19-18-31(16-17-32(19)27(34)23-8-2-3-14-28-23)26(33)21-10-12-22(13-11-21)30-37(35,36)24-9-4-6-20-7-5-15-29-25(20)24/h1-19,30,36H,20-23H2;4-17,21-22,28,34H,18-20H2,1-3H3;3-16,21,27,33H,17-20H2,1-2H3;3-16,21-22H,17-20H2,1-2H3;2*2-15,19,30H,16-18H2,1H3/t30-;22?,28-;27-;21-,22?;2*19-/m111001/s1
InChIKeyMYEGTHLGXMMVPW-OVGDSBDLSA-N
XLogP28.84
TPSA543.55 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds37
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003250.89
LogP ≤ 528.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze [(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

Mitapivat Sulfate
CID 134693700
Pyridin-3-ylmethyl 1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carbodithioate
CID 168271248
N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 49853874
N-[4-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57405266
N-[4-[(2R)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410443
N-[4-[(2R)-2-methyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410444
N-[4-[(2S)-2-methyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410566
N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410689
N-[4-[(2S)-4-[(2-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410690
N-[4-[(2S)-2-methyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410692
N-[4-[(2R)-2-methyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410814
N-[4-[(2R)-2-methyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410815

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of [(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 159705671) is [(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for [(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for [(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is CC(C)[C@H]1CN(C(C)c2ccc(F)cc2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC(C)[C@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CCN1C(=O)c1ccccn1.C[C@H]1CN(C(=O)c2ccccn2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)cc2)C[C@@H]1c1ccccc1.
What is the InChIKey of [(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is MYEGTHLGXMMVPW-OVGDSBDLSA-N. The full InChI is InChI=1S/C33H29FN4O3S.C31H33FN4O3S.C30H31FN4O3S.C30H30FN3O3S.2C27H25N5O4S/c34-28-15-11-24(12-16-28)22-37-20-21-38(30(23-37)25-6-2-1-3-7-25)33(39)27-13-17-29(18-14-27)36-42(40,41)31-10-4-8-26-9-5-19-35-32(26)31;1-21(2)28-20-35(22(3)23-9-13-26(32)14-10-23)18-19-36(28)31(37)25-11-15-27(16-12-25)34-40(38,39)29-8-4-6-24-7-5-17-33-30(24)29;1-21(2)27-20-34(19-22-8-12-25(31)13-9-22)17-18-35(27)30(36)24-10-14-26(15-11-24)33-39(37,38)28-7-3-5-23-6-4-16-32-29(23)28;1-21-19-33(22(2)24-12-14-27(31)15-13-24)17-18-34(21)30(35)26-10-8-23(9-11-26)20-38(36,37)28-7-3-5-25-6-4-16-32-29(25)28;1-19-18-31(27(34)23-8-2-3-14-28-23)16-17-32(19)26(33)21-10-12-22(13-11-21)30-37(35,36)24-9-4-6-20-7-5-15-29-25(20)24;1-19-18-31(16-17-32(19)27(34)23-8-2-3-14-28-23)26(33)21-10-12-22(13-11-21)30-37(35,36)24-9-4-6-20-7-5-15-29-25(20)24/h1-19,30,36H,20-23H2;4-17,21-22,28,34H,18-20H2,1-3H3;3-16,21,27,33H,17-20H2,1-2H3;3-16,21-22H,17-20H2,1-2H3;2*2-15,19,30H,16-18H2,1H3/t30-;22?,28-;27-;21-,22?;2*19-/m111001/s1.
What are the key properties of [(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 3250.89 g/mol, XLogP of 28.84, 37 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 159705671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).