2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide

C15H23ClN2O3S — CID 125072929

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-10(2)12(4)17-15(19)9-18(22(5,20)21)14-8-13(16)7-6-11(14)3/h6-8,10,12H,9H2,1-5H3,(H,17,19)/t12-/m1/s1
InChIKeyFZDBTBHYXXYCNN-GFCCVEGCSA-N
MW346.88 g/mol
LogP2.58
Rot. Bonds6

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 125072929) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID125072929
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-10(2)12(4)17-15(19)9-18(22(5,20)21)14-8-13(16)7-6-11(14)3/h6-8,10,12H,9H2,1-5H3,(H,17,19)/t12-/m1/s1
InChIKeyFZDBTBHYXXYCNN-GFCCVEGCSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]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-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564237
N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2889765
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563133
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30222782
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166334
2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100563222
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133166319
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 998677
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]acetamide
CID 30222970
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885253

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 125072929) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide is Cc1ccc(Cl)cc1N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is FZDBTBHYXXYCNN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-10(2)12(4)17-15(19)9-18(22(5,20)21)14-8-13(16)7-6-11(14)3/h6-8,10,12H,9H2,1-5H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 346.88 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 125072929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).