2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide

C14H21ClN2O3S — CID 116814895

IUPAC2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNS(=O)(=O)CCCCCl)c1C
InChIInChI=1S/C14H21ClN2O3S/c1-11-6-5-7-13(12(11)2)17-14(18)10-16-21(19,20)9-4-3-8-15/h5-7,16H,3-4,8-10H2,1-2H3,(H,17,18)
InChIKeyYZUUHPCMTADXGU-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.18
Rot. Bonds8

About 2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide

2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 116814895) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide
PubChem CID116814895
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNS(=O)(=O)CCCCCl)c1C
InChIInChI=1S/C14H21ClN2O3S/c1-11-6-5-7-13(12(11)2)17-14(18)10-16-21(19,20)9-4-3-8-15/h5-7,16H,3-4,8-10H2,1-2H3,(H,17,18)
InChIKeyYZUUHPCMTADXGU-UHFFFAOYSA-N
XLogP2.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)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

2-[(3-chloro-2-methylpropyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79555531
2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189
N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide
CID 112997974
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 9342508
2-(3-cyanopropylsulfonyl)-N-(2,3-dimethylphenyl)acetamide
CID 82183117
4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide
CID 41273173
N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 112996749
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide (CID 116814895) is 2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CNS(=O)(=O)CCCCCl)c1C.
What is the InChIKey of 2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is YZUUHPCMTADXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-11-6-5-7-13(12(11)2)17-14(18)10-16-21(19,20)9-4-3-8-15/h5-7,16H,3-4,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide?
2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 332.85 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 116814895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).