(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide

C17H26N2O3S — CID 92671060

IUPAC(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
SMILESCCC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)CC
InChIInChI=1S/C17H26N2O3S/c1-5-7-12(3)18-17(20)14-8-9-16-15(11-14)10-13(4)19(16)23(21,22)6-2/h8-9,11-13H,5-7,10H2,1-4H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyGHDNXLQHJFPZHO-STQMWFEESA-N
MW338.47 g/mol
LogP2.71
Rot. Bonds6

About (2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide

(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 92671060) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
PubChem CID92671060
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
SMILESCCC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)CC
InChIInChI=1S/C17H26N2O3S/c1-5-7-12(3)18-17(20)14-8-9-16-15(11-14)10-13(4)19(16)23(21,22)6-2/h8-9,11-13H,5-7,10H2,1-4H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyGHDNXLQHJFPZHO-STQMWFEESA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 93156133
(2R)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 93156124
(2R)-N-butyl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670891
(2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671081
(2S)-1-ethylsulfonyl-2-methyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 99962590
(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-ethylsulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 92671037
N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55683149
(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 (2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide (CID 92671060) is (2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide is CCC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)CC.
What is the InChIKey of (2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is GHDNXLQHJFPZHO-STQMWFEESA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-5-7-12(3)18-17(20)14-8-9-16-15(11-14)10-13(4)19(16)23(21,22)6-2/h8-9,11-13H,5-7,10H2,1-4H3,(H,18,20)/t12-,13-/m0/s1.
What are the key properties of (2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide?
(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92671060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).