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

C19H20N2O4S — CID 41452658

IUPAC(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1
InChIInChI=1S/C19H20N2O4S/c1-12-9-16-10-15(7-8-18(16)21(12)26(3,24)25)19(23)20-17-6-4-5-14(11-17)13(2)22/h4-8,10-12H,9H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyBFZRLLFZPGPFSH-GFCCVEGCSA-N
MW372.45 g/mol
LogP2.85
Rot. Bonds4

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

(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 41452658) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID41452658
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1
InChIInChI=1S/C19H20N2O4S/c1-12-9-16-10-15(7-8-18(16)21(12)26(3,24)25)19(23)20-17-6-4-5-14(11-17)13(2)22/h4-8,10-12H,9H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyBFZRLLFZPGPFSH-GFCCVEGCSA-N
XLogP2.85
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2S)-N-(3-ethylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603095
(2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670819
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
2-methyl-1-methylsulfonyl-N-pyridin-3-yl-2,3-dihydroindole-5-carboxamide
CID 51221434
N-(3,4-difluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200327
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219
(2R)-N-(3,5-dimethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 33142626
(2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670961
2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 78808548
(2R)-2-methyl-1-methylsulfonyl-N-naphthalen-1-yl-2,3-dihydroindole-5-carboxamide
CID 41452595

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 41452658) is (2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is BFZRLLFZPGPFSH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-9-16-10-15(7-8-18(16)21(12)26(3,24)25)19(23)20-17-6-4-5-14(11-17)13(2)22/h4-8,10-12H,9H2,1-3H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 41452658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).