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

C24H23FN2O3S — CID 92671117

IUPAC(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN2O3S/c1-16-14-20-15-19(24(28)26-17(2)18-6-4-3-5-7-18)8-13-23(20)27(16)31(29,30)22-11-9-21(25)10-12-22/h3-13,15-17H,14H2,1-2H3,(H,26,28)/t16-,17-/m0/s1
InChIKeyCQPDDXWQOFKHPE-IRXDYDNUSA-N
MW438.52 g/mol
LogP4.46
Rot. Bonds5

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

(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 92671117) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
PubChem CID92671117
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC Name(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN2O3S/c1-16-14-20-15-19(24(28)26-17(2)18-6-4-3-5-7-18)8-13-23(20)27(16)31(29,30)22-11-9-21(25)10-12-22/h3-13,15-17H,14H2,1-2H3,(H,26,28)/t16-,17-/m0/s1
InChIKeyCQPDDXWQOFKHPE-IRXDYDNUSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide
CID 43906868
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide
CID 30464119
(2S)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
CID 92670717
(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 93156133
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
(4-benzhydrylpiperazin-1-yl)-[(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]methanone
CID 99938930
(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)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671274
(2R)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671140
(2R)-N-(3-bromophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671170

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide (CID 92671117) is (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is CQPDDXWQOFKHPE-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-16-14-20-15-19(24(28)26-17(2)18-6-4-3-5-7-18)8-13-23(20)27(16)31(29,30)22-11-9-21(25)10-12-22/h3-13,15-17H,14H2,1-2H3,(H,26,28)/t16-,17-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide?
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92671117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).