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

C20H23N3O4S — CID 41428851

IUPAC(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1
InChIInChI=1S/C20H23N3O4S/c1-3-22(4-2)28(26,27)16-11-9-14(10-12-16)20(25)23-17-8-6-5-7-15(17)13-18(23)19(21)24/h5-12,18H,3-4,13H2,1-2H3,(H2,21,24)/t18-/m0/s1
InChIKeyIBQWPLPQOLNNAY-SFHVURJKSA-N
MW401.49 g/mol
LogP1.77
Rot. Bonds6

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

(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 41428851) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is (2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
PubChem CID41428851
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1
InChIInChI=1S/C20H23N3O4S/c1-3-22(4-2)28(26,27)16-11-9-14(10-12-16)20(25)23-17-8-6-5-7-15(17)13-18(23)19(21)24/h5-12,18H,3-4,13H2,1-2H3,(H2,21,24)/t18-/m0/s1
InChIKeyIBQWPLPQOLNNAY-SFHVURJKSA-N
XLogP1.77
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428763
(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
CID 95146370
1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587923
(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-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428756
N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide
CID 110424746
N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 132673892
4-ethoxy-N-ethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133180016
(2R)-1-(2-ethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428728
(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428990
(3R)-2-[4-[methyl(phenyl)sulfamoyl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 25387287

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide (CID 41428851) is (2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1.
What is the InChIKey of (2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is IBQWPLPQOLNNAY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-22(4-2)28(26,27)16-11-9-14(10-12-16)20(25)23-17-8-6-5-7-15(17)13-18(23)19(21)24/h5-12,18H,3-4,13H2,1-2H3,(H2,21,24)/t18-/m0/s1.
What are the key properties of (2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41428851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).