(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide

C24H31N3O6S — CID 92661652

IUPAC(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C24H31N3O6S/c1-15(2)12-21(24(29)25-20-14-18(32-4)6-9-23(20)33-5)26-34(30,31)19-7-8-22-17(13-19)10-11-27(22)16(3)28/h6-9,13-15,21,26H,10-12H2,1-5H3,(H,25,29)/t21-/m1/s1
InChIKeyMHSXLHXUILYDLF-OAQYLSRUSA-N
MW489.59 g/mol
LogP2.94
Rot. Bonds9

About (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide

(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide (PubChem CID 92661652) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide
PubChem CID92661652
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC Name(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C24H31N3O6S/c1-15(2)12-21(24(29)25-20-14-18(32-4)6-9-23(20)33-5)26-34(30,31)19-7-8-22-17(13-19)10-11-27(22)16(3)28/h6-9,13-15,21,26H,10-12H2,1-5H3,(H,25,29)/t21-/m1/s1
InChIKeyMHSXLHXUILYDLF-OAQYLSRUSA-N
XLogP2.94
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide with MolForge

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Related Compounds

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-4-methylpentanamide
CID 20856205
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide
CID 92661687
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 92661671
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-4-methylpentanamide
CID 92661669
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dimethylphenyl)-4-methylpentanamide
CID 15996337
1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 26545548
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
CID 92661618
N-(3,4-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856596
N-(3,5-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856607
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-ethylphenyl)-4-methylpentanamide
CID 92661675
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
CID 3242464
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 92661445

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide (CID 92661652) is (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide is COc1ccc(OC)c(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1.
What is the InChIKey of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide?
The InChIKey is MHSXLHXUILYDLF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-15(2)12-21(24(29)25-20-14-18(32-4)6-9-23(20)33-5)26-34(30,31)19-7-8-22-17(13-19)10-11-27(22)16(3)28/h6-9,13-15,21,26H,10-12H2,1-5H3,(H,25,29)/t21-/m1/s1.
What are the key properties of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide?
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide has a molecular weight of 489.59 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 92661652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).