1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide

C20H24N2O5S — CID 26545548

IUPAC1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C20H24N2O5S/c1-13(18-12-16(26-3)5-8-20(18)27-4)21-28(24,25)17-6-7-19-15(11-17)9-10-22(19)14(2)23/h5-8,11-13,21H,9-10H2,1-4H3/t13-/m0/s1
InChIKeyZTHNRRRLKHSWEV-ZDUSSCGKSA-N
MW404.49 g/mol
LogP2.65
Rot. Bonds6

About 1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 26545548) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID26545548
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C20H24N2O5S/c1-13(18-12-16(26-3)5-8-20(18)27-4)21-28(24,25)17-6-7-19-15(11-17)9-10-22(19)14(2)23/h5-8,11-13,21H,9-10H2,1-4H3/t13-/m0/s1
InChIKeyZTHNRRRLKHSWEV-ZDUSSCGKSA-N
XLogP2.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 92661445
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide
CID 92661652
1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 133217517
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
CID 3242464
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-4-methylpentanamide
CID 20856205
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide
CID 55703530
1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 133217573
5-[1-(2,5-dimethoxyphenyl)ethylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 133203803
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide
CID 92661687

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide (CID 26545548) is 1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide is COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1.
What is the InChIKey of 1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ZTHNRRRLKHSWEV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13(18-12-16(26-3)5-8-20(18)27-4)21-28(24,25)17-6-7-19-15(11-17)9-10-22(19)14(2)23/h5-8,11-13,21H,9-10H2,1-4H3/t13-/m0/s1.
What are the key properties of 1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 404.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26545548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).