N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide

C18H20N2O5S — CID 53160386

IUPACN-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)cc1OC
InChIInChI=1S/C18H20N2O5S/c1-24-16-7-6-14(11-17(16)25-2)19-18(21)13-5-4-12-8-9-20(15(12)10-13)26(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChIKeyHLXGVGMMYLAAQL-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.28
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide

N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide (PubChem CID 53160386) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
PubChem CID53160386
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)cc1OC
InChIInChI=1S/C18H20N2O5S/c1-24-16-7-6-14(11-17(16)25-2)19-18(21)13-5-4-12-8-9-20(15(12)10-13)26(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChIKeyHLXGVGMMYLAAQL-UHFFFAOYSA-N
XLogP2.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethoxyphenyl)-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-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160438
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
N-(5-bromo-2-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55905643
N-(2,5-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160417
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55595616
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38559127
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160429
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 28544124
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide (CID 53160386) is N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)N(S(C)(=O)=O)CC3)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
The InChIKey is HLXGVGMMYLAAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-24-16-7-6-14(11-17(16)25-2)19-18(21)13-5-4-12-8-9-20(15(12)10-13)26(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide?
N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).