N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide

C29H37N3O4S — CID 90096466

IUPACN-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
SMILESCn1c(-c2ccccc2)cc2ccc(S(=O)(=O)NC3CCC(C(=O)N4CCC[C@@H]4C(C)(C)O)CC3)cc21
InChIInChI=1S/C29H37N3O4S/c1-29(2,34)27-10-7-17-32(27)28(33)21-11-14-23(15-12-21)30-37(35,36)24-16-13-22-18-25(31(3)26(22)19-24)20-8-5-4-6-9-20/h4-6,8-9,13,16,18-19,21,23,27,30,34H,7,10-12,14-15,17H2,1-3H3/t21?,23?,27-/m1/s1
InChIKeyPVJXVWZMXYVZCE-AISLOGHRSA-N
MW523.70 g/mol
LogP4.44
Rot. Bonds6

About N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide

N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide (PubChem CID 90096466) has the molecular formula C29H37N3O4S and a molecular weight of 523.70 g/mol. Its IUPAC name is N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
PubChem CID90096466
Molecular FormulaC29H37N3O4S
Molecular Weight523.70 g/mol
Exact Mass523.25
IUPAC NameN-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
SMILESCn1c(-c2ccccc2)cc2ccc(S(=O)(=O)NC3CCC(C(=O)N4CCC[C@@H]4C(C)(C)O)CC3)cc21
InChIInChI=1S/C29H37N3O4S/c1-29(2,34)27-10-7-17-32(27)28(33)21-11-14-23(15-12-21)30-37(35,36)24-16-13-22-18-25(31(3)26(22)19-24)20-8-5-4-6-9-20/h4-6,8-9,13,16,18-19,21,23,27,30,34H,7,10-12,14-15,17H2,1-3H3/t21?,23?,27-/m1/s1
InChIKeyPVJXVWZMXYVZCE-AISLOGHRSA-N
XLogP4.44
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.70
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096762
N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096545
3-[4-[6-[[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]cyclohexyl]sulfamoyl]-1-methylindol-2-yl]phenyl]propanoic acid
CID 90096418
ethyl 1-[4-[[2-[4-(methoxymethyl)phenyl]-1-methylindol-6-yl]sulfonylamino]cyclohexanecarbonyl]piperidine-2-carboxylate
CID 90096616
3-[4-[1-methyl-6-[[4-(piperidine-1-carbonyl)cyclohexyl]sulfamoyl]indol-2-yl]phenyl]propanoic acid
CID 90096482
2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide
CID 90096575
2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 67208084
3-[4-[1-methyl-6-[[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]sulfamoyl]indol-2-yl]phenyl]propanoic acid
CID 66710234
1-[(1S)-2-hydroxy-1-phenylethyl]-4-[(1-methyl-2-phenylindol-6-yl)sulfonylamino]cyclohexane-1-carboxamide
CID 140638169
3-[4-[6-[[4-[ethyl(methyl)carbamoyl]cyclohexyl]sulfamoyl]-1-methylindol-2-yl]phenyl]propanoic acid
CID 90096549
4-[(2-cyclopropyl-1-methylindol-6-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 58074416
tert-butyl (3R)-3-[[4-[(1-methyl-2-phenylindol-5-yl)sulfonylamino]cyclohexanecarbonyl]amino]-3-phenylpropanoate
CID 66710203

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide?
The IUPAC name of N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide (CID 90096466) is N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide.
What is the SMILES notation for N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide?
The canonical SMILES for N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide is Cn1c(-c2ccccc2)cc2ccc(S(=O)(=O)NC3CCC(C(=O)N4CCC[C@@H]4C(C)(C)O)CC3)cc21.
What is the InChIKey of N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide?
The InChIKey is PVJXVWZMXYVZCE-AISLOGHRSA-N. The full InChI is InChI=1S/C29H37N3O4S/c1-29(2,34)27-10-7-17-32(27)28(33)21-11-14-23(15-12-21)30-37(35,36)24-16-13-22-18-25(31(3)26(22)19-24)20-8-5-4-6-9-20/h4-6,8-9,13,16,18-19,21,23,27,30,34H,7,10-12,14-15,17H2,1-3H3/t21?,23?,27-/m1/s1.
What are the key properties of N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide?
N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide has a molecular weight of 523.70 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide is sourced from PubChem (CID 90096466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).