(2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

C25H26N2O3S — CID 92671081

IUPAC(2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCCS(=O)(=O)N1c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2C[C@H]1C
InChIInChI=1S/C25H26N2O3S/c1-3-31(29,30)27-18(2)16-22-17-21(14-15-23(22)27)25(28)26-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,17-18,24H,3,16H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyDMUCBTIPTCRJKV-GOSISDBHSA-N
MW434.56 g/mol
LogP4.31
Rot. Bonds6

About (2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

(2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 92671081) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is (2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID92671081
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name(2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCCS(=O)(=O)N1c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2C[C@H]1C
InChIInChI=1S/C25H26N2O3S/c1-3-31(29,30)27-18(2)16-22-17-21(14-15-23(22)27)25(28)26-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,17-18,24H,3,16H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyDMUCBTIPTCRJKV-GOSISDBHSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 92671060
(2S)-1-ethylsulfonyl-2-methyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 99962590
(2S)-N,N-dibenzyl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671023
(2R)-N-butyl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670891
(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671018
(2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670982
(2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670961
(2S)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
CID 92670717
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
CID 92671117
[(2S)-1-ethylsulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92671043
(2S)-N-[(1R)-1-(4-chlorophenyl)propyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41490223
(2S)-1-ethylsulfonyl-2-methyl-N-(3-nitrophenyl)-2,3-dihydroindole-5-carboxamide
CID 92671015

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (CID 92671081) is (2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is CCS(=O)(=O)N1c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2C[C@H]1C.
What is the InChIKey of (2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is DMUCBTIPTCRJKV-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-3-31(29,30)27-18(2)16-22-17-21(14-15-23(22)27)25(28)26-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,17-18,24H,3,16H2,1-2H3,(H,26,28)/t18-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
(2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92671081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).