2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide

C14H21ClN2O3S — CID 3969354

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(2)8-16-14(18)10-17(21(3,19)20)9-12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyRGGJBFOPRXDMEL-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.87
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide (PubChem CID 3969354) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide
PubChem CID3969354
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(2)8-16-14(18)10-17(21(3,19)20)9-12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyRGGJBFOPRXDMEL-UHFFFAOYSA-N
XLogP1.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)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-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 4113243
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2231151
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 4543333
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28547324
3-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)propanamide
CID 113138964
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 2230213
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 7917888
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547319
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide
CID 113139464
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30168964

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide (CID 3969354) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is RGGJBFOPRXDMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-11(2)8-16-14(18)10-17(21(3,19)20)9-12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 332.85 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 3969354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).