2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide

C18H20N2O5S2 — CID 55474873

IUPAC2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3ccccc3S(C)(=O)=O)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H20N2O5S2/c1-12-10-14-11-13(8-9-16(14)20(12)27(3,24)25)18(21)19-15-6-4-5-7-17(15)26(2,22)23/h4-9,11-12H,10H2,1-3H3,(H,19,21)
InChIKeyVATPGSOEVWAZPU-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.05
Rot. Bonds4

About 2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide

2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 55474873) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide
PubChem CID55474873
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Name2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3ccccc3S(C)(=O)=O)ccc2N1S(C)(=O)=O
InChIInChI=1S/C18H20N2O5S2/c1-12-10-14-11-13(8-9-16(14)20(12)27(3,24)25)18(21)19-15-6-4-5-7-17(15)26(2,22)23/h4-9,11-12H,10H2,1-3H3,(H,19,21)
InChIKeyVATPGSOEVWAZPU-UHFFFAOYSA-N
XLogP2.05
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-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

Related Compounds

N-(2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17464594
(2R)-2-methyl-1-methylsulfonyl-N-naphthalen-1-yl-2,3-dihydroindole-5-carboxamide
CID 41452595
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2S)-N-(2-ethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603014
(2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 30236152
methyl 2-hydroxy-3-[(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 56543155
(2S)-N-(2,4-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452610
(2S)-N-(4-chloro-2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777424
(2R)-N-(2-hydroxy-4-methylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51537692
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide (CID 55474873) is 2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3ccccc3S(C)(=O)=O)ccc2N1S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is VATPGSOEVWAZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c1-12-10-14-11-13(8-9-16(14)20(12)27(3,24)25)18(21)19-15-6-4-5-7-17(15)26(2,22)23/h4-9,11-12H,10H2,1-3H3,(H,19,21).
What are the key properties of 2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide?
2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55474873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).