(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide

C24H23N3O4S — CID 100766861

IUPAC(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@H]1Cc2cc(C(=O)Nc3ccc(CC(N)=O)cc3)ccc2N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23N3O4S/c1-16-13-19-15-18(24(29)26-20-10-7-17(8-11-20)14-23(25)28)9-12-22(19)27(16)32(30,31)21-5-3-2-4-6-21/h2-12,15-16H,13-14H2,1H3,(H2,25,28)(H,26,29)/t16-/m0/s1
InChIKeyXXVIDGYWEWPSTB-INIZCTEOSA-N
MW449.53 g/mol
LogP3.11
Rot. Bonds6

About (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide

(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 100766861) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID100766861
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@H]1Cc2cc(C(=O)Nc3ccc(CC(N)=O)cc3)ccc2N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23N3O4S/c1-16-13-19-15-18(24(29)26-20-10-7-17(8-11-20)14-23(25)28)9-12-22(19)27(16)32(30,31)21-5-3-2-4-6-21/h2-12,15-16H,13-14H2,1H3,(H2,25,28)(H,26,29)/t16-/m0/s1
InChIKeyXXVIDGYWEWPSTB-INIZCTEOSA-N
XLogP3.11
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate
CID 133158900
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 100801400
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670788
(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671018
1-(benzenesulfonyl)-2-methyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 133197640
(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671274
(2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 100766947
(2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801421
(2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670819
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55614368

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide (CID 100766861) is (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide is C[C@H]1Cc2cc(C(=O)Nc3ccc(CC(N)=O)cc3)ccc2N1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is XXVIDGYWEWPSTB-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16-13-19-15-18(24(29)26-20-10-7-17(8-11-20)14-23(25)28)9-12-22(19)27(16)32(30,31)21-5-3-2-4-6-21/h2-12,15-16H,13-14H2,1H3,(H2,25,28)(H,26,29)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide?
(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 100766861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).