4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide

C26H27N3O4S — CID 25325600

IUPAC4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CCCc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C26H27N3O4S/c1-18-10-15-22(34(31,32)29-20-11-13-21(33-2)14-12-20)16-25(18)28-26(30)9-5-6-19-17-27-24-8-4-3-7-23(19)24/h3-4,7-8,10-17,27,29H,5-6,9H2,1-2H3,(H,28,30)
InChIKeyAETPTMWBDDUQNR-UHFFFAOYSA-N
MW477.59 g/mol
LogP5.25
Rot. Bonds9

About 4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide

4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide (PubChem CID 25325600) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide
PubChem CID25325600
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CCCc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C26H27N3O4S/c1-18-10-15-22(34(31,32)29-20-11-13-21(33-2)14-12-20)16-25(18)28-26(30)9-5-6-19-17-27-24-8-4-3-7-23(19)24/h3-4,7-8,10-17,27,29H,5-6,9H2,1-2H3,(H,28,30)
InChIKeyAETPTMWBDDUQNR-UHFFFAOYSA-N
XLogP5.25
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide
CID 55363866
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 3938486
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide
CID 26761049
N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027566
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 5213116
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7958497
4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 33338058
N-(2,5-dimethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4259927
4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 51044500
4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410084

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide (CID 25325600) is 4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CCCc3c[nH]c4ccccc34)c2)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide?
The InChIKey is AETPTMWBDDUQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-18-10-15-22(34(31,32)29-20-11-13-21(33-2)14-12-20)16-25(18)28-26(30)9-5-6-19-17-27-24-8-4-3-7-23(19)24/h3-4,7-8,10-17,27,29H,5-6,9H2,1-2H3,(H,28,30).
What are the key properties of 4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide?
4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide has a molecular weight of 477.59 g/mol, XLogP of 5.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide is sourced from PubChem (CID 25325600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).