[(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-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C151H148F4N20O16S5 — CID 160796284

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-[(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.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C33H29FN4O3S.C31H33FN4O3S.C30H31FN4O3S.C30H30FN3O3S.C27H25N5O4S/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(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;2-15,19,30H,16-18H2,1H3/t30-;22?,28-;27-;21-,22?;19-/m11101/s1
InChIKeySCMHSAXQJIXYKG-RSRPKEFRSA-N
MW2735.30 g/mol
LogP25.42
Rot. Bonds32

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-[(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-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 160796284) has the molecular formula C151H148F4N20O16S5 and a molecular weight of 2735.30 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-[(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-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
PubChem CID160796284
Molecular FormulaC151H148F4N20O16S5
Molecular Weight2735.30 g/mol
Exact Mass2732.99
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-[(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.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C33H29FN4O3S.C31H33FN4O3S.C30H31FN4O3S.C30H30FN3O3S.C27H25N5O4S/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(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;2-15,19,30H,16-18H2,1H3/t30-;22?,28-;27-;21-,22?;19-/m11101/s1
InChIKeySCMHSAXQJIXYKG-RSRPKEFRSA-N
XLogP25.42
TPSA430.98 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002735.30
LogP ≤ 525.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

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-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(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-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 160796284) 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-[(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-[(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-[(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.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-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is SCMHSAXQJIXYKG-RSRPKEFRSA-N. The full InChI is InChI=1S/C33H29FN4O3S.C31H33FN4O3S.C30H31FN4O3S.C30H30FN3O3S.C27H25N5O4S/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(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;2-15,19,30H,16-18H2,1H3/t30-;22?,28-;27-;21-,22?;19-/m11101/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-[(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-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 2735.30 g/mol, XLogP of 25.42, 32 rotatable bonds, 4 hydrogen bond donors, and 26 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-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 160796284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).