N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide

C20H23N3O3S — CID 9223899

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H23N3O3S/c1-3-4-13-23(2)27(25,26)17-11-9-16(10-12-17)21-20(24)19-14-15-7-5-6-8-18(15)22-19/h5-12,14,22H,3-4,13H2,1-2H3,(H,21,24)
InChIKeyOAQMNUKTRFQRES-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.84
Rot. Bonds7

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 9223899) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
PubChem CID9223899
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H23N3O3S/c1-3-4-13-23(2)27(25,26)17-11-9-16(10-12-17)21-20(24)19-14-15-7-5-6-8-18(15)22-19/h5-12,14,22H,3-4,13H2,1-2H3,(H,21,24)
InChIKeyOAQMNUKTRFQRES-UHFFFAOYSA-N
XLogP3.84
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
CID 7948721
N-[4-[methyl-[(2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide
CID 4902121
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
ethyl 2-[4-(1H-indole-2-carbonylamino)anilino]-2-oxoacetate
CID 127044923
N-(N-butyl-N-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 174285992
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011474
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2H-chromene-3-carboxamide
CID 26955320

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide (CID 9223899) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is OAQMNUKTRFQRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-4-13-23(2)27(25,26)17-11-9-16(10-12-17)21-20(24)19-14-15-7-5-6-8-18(15)22-19/h5-12,14,22H,3-4,13H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 9223899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).