N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide

C17H19ClN2O3S — CID 2545228

IUPACN-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-4-9-16(13(2)10-12)24(22,23)20(3)11-17(21)19-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyCTIYGOMRJOQRNY-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.22
Rot. Bonds5

About N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide

N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 2545228) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
PubChem CID2545228
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-4-9-16(13(2)10-12)24(22,23)20(3)11-17(21)19-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyCTIYGOMRJOQRNY-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 2454779
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 17027740
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 100781042
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 2535186
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 24677998
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide (CID 2545228) is N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is CTIYGOMRJOQRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-4-9-16(13(2)10-12)24(22,23)20(3)11-17(21)19-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 366.87 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 2545228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).