2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide

C18H22N2O3S — CID 40735304

IUPAC2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-15-7-11-17(12-8-15)24(22,23)20(3)13-18(21)19-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeySRMACRYDQDVCEF-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.82
Rot. Bonds6

About 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide

2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 40735304) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID40735304
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-15-7-11-17(12-8-15)24(22,23)20(3)13-18(21)19-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeySRMACRYDQDVCEF-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 27711716
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-ethylphenyl)acetamide
CID 3316873
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 126032259
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 37400572
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide (CID 40735304) is 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide is CCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is SRMACRYDQDVCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-15-7-11-17(12-8-15)24(22,23)20(3)13-18(21)19-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 40735304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).