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

C22H26ClN3O4S — CID 92661618

IUPAC(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H26ClN3O4S/c1-14(2)12-20(22(28)24-18-6-4-17(23)5-7-18)25-31(29,30)19-8-9-21-16(13-19)10-11-26(21)15(3)27/h4-9,13-14,20,25H,10-12H2,1-3H3,(H,24,28)/t20-/m0/s1
InChIKeyPEODDYULIYAWIO-FQEVSTJZSA-N
MW463.99 g/mol
LogP3.58
Rot. Bonds7

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

(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide (PubChem CID 92661618) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
PubChem CID92661618
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H26ClN3O4S/c1-14(2)12-20(22(28)24-18-6-4-17(23)5-7-18)25-31(29,30)19-8-9-21-16(13-19)10-11-26(21)15(3)27/h4-9,13-14,20,25H,10-12H2,1-3H3,(H,24,28)/t20-/m0/s1
InChIKeyPEODDYULIYAWIO-FQEVSTJZSA-N
XLogP3.58
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethylphenyl)-4-methylpentanamide
CID 92661675
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dimethylphenyl)-4-methylpentanamide
CID 15996337
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(1-phenylethyl)pentanamide
CID 122175087
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-4-methylpentanamide
CID 92661652
1-acetyl-N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 92661637
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-4-methylpentanamide
CID 92661669
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)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92882222
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 92661671

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide (CID 92661618) is (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide is CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3ccc(Cl)cc3)ccc21.
What is the InChIKey of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide?
The InChIKey is PEODDYULIYAWIO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-14(2)12-20(22(28)24-18-6-4-17(23)5-7-18)25-31(29,30)19-8-9-21-16(13-19)10-11-26(21)15(3)27/h4-9,13-14,20,25H,10-12H2,1-3H3,(H,24,28)/t20-/m0/s1.
What are the key properties of (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide?
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide has a molecular weight of 463.99 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide is sourced from PubChem (CID 92661618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).