(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

C24H22FN3O4S — CID 92671274

IUPAC(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H22FN3O4S/c1-15-12-18-13-17(24(30)27-21-5-3-4-20(14-21)26-16(2)29)6-11-23(18)28(15)33(31,32)22-9-7-19(25)8-10-22/h3-11,13-15H,12H2,1-2H3,(H,26,29)(H,27,30)/t15-/m0/s1
InChIKeyZAIRECYBPKPXQL-HNNXBMFYSA-N
MW467.52 g/mol
LogP4.18
Rot. Bonds5

About (2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 92671274) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is (2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID92671274
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC Name(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H22FN3O4S/c1-15-12-18-13-17(24(30)27-21-5-3-4-20(14-21)26-16(2)29)6-11-23(18)28(15)33(31,32)22-9-7-19(25)8-10-22/h3-11,13-15H,12H2,1-2H3,(H,26,29)(H,27,30)/t15-/m0/s1
InChIKeyZAIRECYBPKPXQL-HNNXBMFYSA-N
XLogP4.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-bromophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671170
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
(2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670819
(2R)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671140
(2R)-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671213
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670770
(2R)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671089
(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671105
(2S)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671088
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
CID 92671117
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670788
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (CID 92671274) is (2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZAIRECYBPKPXQL-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-15-12-18-13-17(24(30)27-21-5-3-4-20(14-21)26-16(2)29)6-11-23(18)28(15)33(31,32)22-9-7-19(25)8-10-22/h3-11,13-15H,12H2,1-2H3,(H,26,29)(H,27,30)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92671274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).