2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide

C17H18N2O3S — CID 17018183

IUPAC2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3ccccc3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H18N2O3S/c1-12-10-14-11-13(8-9-16(14)19(12)23(2,21)22)17(20)18-15-6-4-3-5-7-15/h3-9,11-12H,10H2,1-2H3,(H,18,20)
InChIKeyFRONLUPUYUPUPH-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.65
Rot. Bonds3

About 2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide

2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide (PubChem CID 17018183) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
PubChem CID17018183
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3ccccc3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H18N2O3S/c1-12-10-14-11-13(8-9-16(14)19(12)23(2,21)22)17(20)18-15-6-4-3-5-7-15/h3-9,11-12H,10H2,1-2H3,(H,18,20)
InChIKeyFRONLUPUYUPUPH-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219
2-methyl-1-methylsulfonyl-N-pyridin-3-yl-2,3-dihydroindole-5-carboxamide
CID 51221434
(4-benzamidophenyl) 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55383877
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
(2S)-N-(3-ethylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603095
(2R)-N-(3,5-dimethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 33142626
N-(3,4-difluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200327
2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide
CID 55474873
N-(2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17464594
(2S)-N-[4-(azepan-1-yl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9279034

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide (CID 17018183) is 2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3ccccc3)ccc2N1S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is FRONLUPUYUPUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-10-14-11-13(8-9-16(14)19(12)23(2,21)22)17(20)18-15-6-4-3-5-7-15/h3-9,11-12H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide?
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 17018183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).