N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole

C107H122F4N10O9S5 — CID 160502368

IUPACN-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole
SMILESC=C(C1CC1)N1CCC(c2cn(C)c3ccc(CS(=O)(=O)c4ccc(F)cc4)cc23)CC1.C=C([C@H](C)C1CCCC1)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1.C=C(c1ccns1)N1CCC(c2cn(C)c3ccc(CS(=O)(=O)c4ccc(F)cc4)cc23)CC1.CC(C)C(=O)N1CC[C@@H](c2cn(C)c3ccc(CS(=O)(=O)c4ccc(F)cc4)cc23)[C@@H](C)C1
InChIInChI=1S/C29H36FN3O2S.C26H26FN3O2S2.C26H31FN2O3S.C26H29FN2O2S/c1-20(22-6-4-5-7-22)21(2)33-16-14-23(15-17-33)28-19-32(3)29-13-10-25(18-27(28)29)31-36(34,35)26-11-8-24(30)9-12-26;1-18(26-9-12-28-33-26)30-13-10-20(11-14-30)24-16-29(2)25-8-3-19(15-23(24)25)17-34(31,32)22-6-4-21(27)5-7-22;1-17(2)26(30)29-12-11-22(18(3)14-29)24-15-28(4)25-10-5-19(13-23(24)25)16-33(31,32)21-8-6-20(27)7-9-21;1-18(20-4-5-20)29-13-11-21(12-14-29)25-16-28(2)26-10-3-19(15-24(25)26)17-32(30,31)23-8-6-22(27)7-9-23/h8-13,18-20,22-23,31H,2,4-7,14-17H2,1,3H3;3-9,12,15-16,20H,1,10-11,13-14,17H2,2H3;5-10,13,15,17-18,22H,11-12,14,16H2,1-4H3;3,6-10,15-16,20-21H,1,4-5,11-14,17H2,2H3/t20-;;18-,22+;/m0.0./s1
InChIKeyQRYJGSLNUZFEGT-IOVOVDCGSA-N
MW1928.54 g/mol
LogP22.53
Rot. Bonds24

About N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole

N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole (PubChem CID 160502368) has the molecular formula C107H122F4N10O9S5 and a molecular weight of 1928.54 g/mol. Its IUPAC name is N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole.

Molecular Properties

Compound NameN-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole
PubChem CID160502368
Molecular FormulaC107H122F4N10O9S5
Molecular Weight1928.54 g/mol
Exact Mass1926.79
IUPAC NameN-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole
SMILESC=C(C1CC1)N1CCC(c2cn(C)c3ccc(CS(=O)(=O)c4ccc(F)cc4)cc23)CC1.C=C([C@H](C)C1CCCC1)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1.C=C(c1ccns1)N1CCC(c2cn(C)c3ccc(CS(=O)(=O)c4ccc(F)cc4)cc23)CC1.CC(C)C(=O)N1CC[C@@H](c2cn(C)c3ccc(CS(=O)(=O)c4ccc(F)cc4)cc23)[C@@H](C)C1
InChIInChI=1S/C29H36FN3O2S.C26H26FN3O2S2.C26H31FN2O3S.C26H29FN2O2S/c1-20(22-6-4-5-7-22)21(2)33-16-14-23(15-17-33)28-19-32(3)29-13-10-25(18-27(28)29)31-36(34,35)26-11-8-24(30)9-12-26;1-18(26-9-12-28-33-26)30-13-10-20(11-14-30)24-16-29(2)25-8-3-19(15-23(24)25)17-34(31,32)22-6-4-21(27)5-7-22;1-17(2)26(30)29-12-11-22(18(3)14-29)24-15-28(4)25-10-5-19(13-23(24)25)16-33(31,32)21-8-6-20(27)7-9-21;1-18(20-4-5-20)29-13-11-21(12-14-29)25-16-28(2)26-10-3-19(15-24(25)26)17-32(30,31)23-8-6-22(27)7-9-23/h8-13,18-20,22-23,31H,2,4-7,14-17H2,1,3H3;3-9,12,15-16,20H,1,10-11,13-14,17H2,2H3;5-10,13,15,17-18,22H,11-12,14,16H2,1-4H3;3,6-10,15-16,20-21H,1,4-5,11-14,17H2,2H3/t20-;;18-,22+;/m0.0./s1
InChIKeyQRYJGSLNUZFEGT-IOVOVDCGSA-N
XLogP22.53
TPSA211.23 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001928.54
LogP ≤ 522.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole?
The IUPAC name of N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole (CID 160502368) is N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole.
What is the SMILES notation for N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole?
The canonical SMILES for N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole is C=C(C1CC1)N1CCC(c2cn(C)c3ccc(CS(=O)(=O)c4ccc(F)cc4)cc23)CC1.C=C([C@H](C)C1CCCC1)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1.C=C(c1ccns1)N1CCC(c2cn(C)c3ccc(CS(=O)(=O)c4ccc(F)cc4)cc23)CC1.CC(C)C(=O)N1CC[C@@H](c2cn(C)c3ccc(CS(=O)(=O)c4ccc(F)cc4)cc23)[C@@H](C)C1.
What is the InChIKey of N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole?
The InChIKey is QRYJGSLNUZFEGT-IOVOVDCGSA-N. The full InChI is InChI=1S/C29H36FN3O2S.C26H26FN3O2S2.C26H31FN2O3S.C26H29FN2O2S/c1-20(22-6-4-5-7-22)21(2)33-16-14-23(15-17-33)28-19-32(3)29-13-10-25(18-27(28)29)31-36(34,35)26-11-8-24(30)9-12-26;1-18(26-9-12-28-33-26)30-13-10-20(11-14-30)24-16-29(2)25-8-3-19(15-23(24)25)17-34(31,32)22-6-4-21(27)5-7-22;1-17(2)26(30)29-12-11-22(18(3)14-29)24-15-28(4)25-10-5-19(13-23(24)25)16-33(31,32)21-8-6-20(27)7-9-21;1-18(20-4-5-20)29-13-11-21(12-14-29)25-16-28(2)26-10-3-19(15-24(25)26)17-32(30,31)23-8-6-22(27)7-9-23/h8-13,18-20,22-23,31H,2,4-7,14-17H2,1,3H3;3-9,12,15-16,20H,1,10-11,13-14,17H2,2H3;5-10,13,15,17-18,22H,11-12,14,16H2,1-4H3;3,6-10,15-16,20-21H,1,4-5,11-14,17H2,2H3/t20-;;18-,22+;/m0.0./s1.
What are the key properties of N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole?
N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole has a molecular weight of 1928.54 g/mol, XLogP of 22.53, 24 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(3R)-3-cyclopentylbut-1-en-2-yl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide;3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindole;1-[(3R,4R)-4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one;5-[1-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]ethenyl]-1,2-thiazole is sourced from PubChem (CID 160502368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).