(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide

C17H16N2O3S — CID 95146370

IUPAC(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
SMILESC[S@@](=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1
InChIInChI=1S/C17H16N2O3S/c1-23(22)13-8-6-11(7-9-13)17(21)19-14-5-3-2-4-12(14)10-15(19)16(18)20/h2-9,15H,10H2,1H3,(H2,18,20)/t15-,23+/m0/s1
InChIKeyHRISCNMQUOUAEK-NPMXOYFQSA-N
MW328.39 g/mol
LogP1.48
Rot. Bonds3

About (2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 95146370) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
PubChem CID95146370
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
SMILESC[S@@](=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1
InChIInChI=1S/C17H16N2O3S/c1-23(22)13-8-6-11(7-9-13)17(21)19-14-5-3-2-4-12(14)10-15(19)16(18)20/h2-9,15H,10H2,1H3,(H2,18,20)/t15-,23+/m0/s1
InChIKeyHRISCNMQUOUAEK-NPMXOYFQSA-N
XLogP1.48
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428763
(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 40829167
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
CID 41428851
1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587923
(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428756
methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate
CID 95593895
(2R)-1-(2-ethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428728
(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
CID 86777025
1-(1-benzofuran-2-carbonyl)-2,3-dihydroindole-2-carboxamide
CID 18587951
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide (CID 95146370) is (2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide is C[S@@](=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1.
What is the InChIKey of (2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is HRISCNMQUOUAEK-NPMXOYFQSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-23(22)13-8-6-11(7-9-13)17(21)19-14-5-3-2-4-12(14)10-15(19)16(18)20/h2-9,15H,10H2,1H3,(H2,18,20)/t15-,23+/m0/s1.
What are the key properties of (2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 95146370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).