2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide

C22H28N2O4S — CID 30174135

IUPAC2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCCOC1CCCC1
InChIInChI=1S/C22H28N2O4S/c25-22(23-16-9-17-28-20-12-7-8-13-20)18-24(19-10-3-1-4-11-19)29(26,27)21-14-5-2-6-15-21/h1-6,10-11,14-15,20H,7-9,12-13,16-18H2,(H,23,25)
InChIKeyUQCKMBKFDRNMIO-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.35
Rot. Bonds10

About 2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide

2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide (PubChem CID 30174135) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide
PubChem CID30174135
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCCOC1CCCC1
InChIInChI=1S/C22H28N2O4S/c25-22(23-16-9-17-28-20-12-7-8-13-20)18-24(19-10-3-1-4-11-19)29(26,27)21-14-5-2-6-15-21/h1-6,10-11,14-15,20H,7-9,12-13,16-18H2,(H,23,25)
InChIKeyUQCKMBKFDRNMIO-UHFFFAOYSA-N
XLogP3.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide 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

N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30249072
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30174863
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30205047
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30253559
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 30227480
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30207049
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30207045
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30213850
N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30215284
2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
CID 21212069
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30213587
N-(3-cyclohexyloxypropyl)-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30227803

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide (CID 30174135) is 2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCCOC1CCCC1.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide?
The InChIKey is UQCKMBKFDRNMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c25-22(23-16-9-17-28-20-12-7-8-13-20)18-24(19-10-3-1-4-11-19)29(26,27)21-14-5-2-6-15-21/h1-6,10-11,14-15,20H,7-9,12-13,16-18H2,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide?
2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-(3-cyclopentyloxypropyl)acetamide is sourced from PubChem (CID 30174135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).