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

C23H28ClN3O5S — CID 92661687

IUPAC(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1Cl
InChIInChI=1S/C23H28ClN3O5S/c1-14(2)11-20(23(29)25-17-5-8-22(32-4)19(24)13-17)26-33(30,31)18-6-7-21-16(12-18)9-10-27(21)15(3)28/h5-8,12-14,20,26H,9-11H2,1-4H3,(H,25,29)/t20-/m1/s1
InChIKeyXQYCEQXZJCAXKX-HXUWFJFHSA-N
MW494.01 g/mol
LogP3.59
Rot. Bonds8

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

(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide (PubChem CID 92661687) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide
PubChem CID92661687
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC Name(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1Cl
InChIInChI=1S/C23H28ClN3O5S/c1-14(2)11-20(23(29)25-17-5-8-22(32-4)19(24)13-17)26-33(30,31)18-6-7-21-16(12-18)9-10-27(21)15(3)28/h5-8,12-14,20,26H,9-11H2,1-4H3,(H,25,29)/t20-/m1/s1
InChIKeyXQYCEQXZJCAXKX-HXUWFJFHSA-N
XLogP3.59
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-4-methylpentanamide
CID 20856205
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
CID 92661618
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide
CID 92661652
N-(3,4-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856596
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-ethylphenyl)-4-methylpentanamide
CID 92661675
(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]-4-methyl-N-(1-phenylethyl)pentanamide
CID 122175087
N-(3,5-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856607
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dimethylphenyl)-4-methylpentanamide
CID 15996337
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 92661671
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 92661445
1-acetyl-N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 92661637

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide (CID 92661687) is (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide is COc1ccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1Cl.
What is the InChIKey of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide?
The InChIKey is XQYCEQXZJCAXKX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-14(2)11-20(23(29)25-17-5-8-22(32-4)19(24)13-17)26-33(30,31)18-6-7-21-16(12-18)9-10-27(21)15(3)28/h5-8,12-14,20,26H,9-11H2,1-4H3,(H,25,29)/t20-/m1/s1.
What are the key properties of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide?
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide has a molecular weight of 494.01 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 92661687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).