N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C17H18N2O3S — CID 847684

IUPACN-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-3-6-15(7-4-12)18-17(20)14-5-8-16-13(11-14)9-10-19(16)23(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeySAEPBVCWTWBDDW-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.57
Rot. Bonds3

About N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 847684) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID847684
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1
InChIInChI=1S/C17H18N2O3S/c1-12-3-6-15(7-4-12)18-17(20)14-5-8-16-13(11-14)9-10-19(16)23(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeySAEPBVCWTWBDDW-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-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

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 847684) is N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is SAEPBVCWTWBDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-3-6-15(7-4-12)18-17(20)14-5-8-16-13(11-14)9-10-19(16)23(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 847684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).