(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

C20H23N3O4S — CID 92671018

IUPAC(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2C[C@H]1C
InChIInChI=1S/C20H23N3O4S/c1-4-28(26,27)23-13(2)11-16-12-15(5-10-19(16)23)20(25)22-18-8-6-17(7-9-18)21-14(3)24/h5-10,12-13H,4,11H2,1-3H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyNWKKFWFFNSTOHZ-CYBMUJFWSA-N
MW401.49 g/mol
LogP3.00
Rot. Bonds5

About (2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 92671018) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID92671018
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2C[C@H]1C
InChIInChI=1S/C20H23N3O4S/c1-4-28(26,27)23-13(2)11-16-12-15(5-10-19(16)23)20(25)22-18-8-6-17(7-9-18)21-14(3)24/h5-10,12-13H,4,11H2,1-3H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyNWKKFWFFNSTOHZ-CYBMUJFWSA-N
XLogP3.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-N-(3-nitrophenyl)-2,3-dihydroindole-5-carboxamide
CID 92671015
ethyl 4-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 41452649
(2R)-N-butyl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670891
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219
(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 92671060
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
(2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671081
(2R)-N-(3,4-diethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 42091062

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (CID 92671018) is (2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2C[C@H]1C.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is NWKKFWFFNSTOHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-28(26,27)23-13(2)11-16-12-15(5-10-19(16)23)20(25)22-18-8-6-17(7-9-18)21-14(3)24/h5-10,12-13H,4,11H2,1-3H3,(H,21,24)(H,22,25)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92671018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).