N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide

C21H26N2O3S — CID 9011474

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-4-14-23(2)27(25,26)20-12-10-19(11-13-20)22-21(24)18-9-8-16-6-5-7-17(16)15-18/h8-13,15H,3-7,14H2,1-2H3,(H,22,24)
InChIKeyDTAXEKCJXGYTTI-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.85
Rot. Bonds7

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 9011474) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID9011474
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-4-14-23(2)27(25,26)20-12-10-19(11-13-20)22-21(24)18-9-8-16-6-5-7-17(16)15-18/h8-13,15H,3-7,14H2,1-2H3,(H,22,24)
InChIKeyDTAXEKCJXGYTTI-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-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-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011603
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7948713
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide
CID 7948730
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
CID 7948721
N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7733390
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9474741
N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 27681428
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]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 9011474) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is DTAXEKCJXGYTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-4-14-23(2)27(25,26)20-12-10-19(11-13-20)22-21(24)18-9-8-16-6-5-7-17(16)15-18/h8-13,15H,3-7,14H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 9011474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).