N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide

C18H20N2O3S — CID 53160417

IUPACN-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)c1
InChIInChI=1S/C18H20N2O3S/c1-12-4-5-13(2)16(10-12)19-18(21)15-7-6-14-8-9-20(17(14)11-15)24(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChIKeyWSKOJPQIHRFEMM-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.88
Rot. Bonds3

About N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide

N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide (PubChem CID 53160417) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
PubChem CID53160417
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)c1
InChIInChI=1S/C18H20N2O3S/c1-12-4-5-13(2)16(10-12)19-18(21)15-7-6-14-8-9-20(17(14)11-15)24(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChIKeyWSKOJPQIHRFEMM-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-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-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160429
N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160438
N-(5-fluoro-2-methylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 7602964
N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160386
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386198
1-methylsulfonyl-N-(3-propan-2-yloxypropyl)-2,3-dihydroindole-6-carboxamide
CID 53160481
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110343083
3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
CID 39132073
N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384049
N-(4-methyl-3-nitrophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200214

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide (CID 53160417) is N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide is Cc1ccc(C)c(NC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The InChIKey is WSKOJPQIHRFEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-4-5-13(2)16(10-12)19-18(21)15-7-6-14-8-9-20(17(14)11-15)24(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).