N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide

C18H22N2O3S — CID 112996509

IUPACN-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
SMILESCc1ccc(C)c(NC(=O)CNS(=O)(=O)CCc2ccccc2)c1
InChIInChI=1S/C18H22N2O3S/c1-14-8-9-15(2)17(12-14)20-18(21)13-19-24(22,23)11-10-16-6-4-3-5-7-16/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyBXCGELBHICWUMQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.40
Rot. Bonds7

About N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide

N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide (PubChem CID 112996509) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
PubChem CID112996509
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
SMILESCc1ccc(C)c(NC(=O)CNS(=O)(=O)CCc2ccccc2)c1
InChIInChI=1S/C18H22N2O3S/c1-14-8-9-15(2)17(12-14)20-18(21)13-19-24(22,23)11-10-16-6-4-3-5-7-16/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyBXCGELBHICWUMQ-UHFFFAOYSA-N
XLogP2.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112998959
2-[(2,5-dimethylphenyl)methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 22300215
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
(2R)-4-(2,5-dimethylanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid
CID 749008
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827070
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112998607
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
N-(2,5-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19167579
N-(2,5-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 9314105

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide (CID 112996509) is N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide is Cc1ccc(C)c(NC(=O)CNS(=O)(=O)CCc2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide?
The InChIKey is BXCGELBHICWUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-8-9-15(2)17(12-14)20-18(21)13-19-24(22,23)11-10-16-6-4-3-5-7-16/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide?
N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide is sourced from PubChem (CID 112996509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).