2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C18H22N2O3S — CID 50891881

IUPAC2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(N)=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-12-5-7-16(8-6-12)24(22,23)20(11-17(19)21)18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3,(H2,19,21)
InChIKeyILDHFDWROQPCNB-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.60
Rot. Bonds5

About 2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 50891881) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID50891881
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(N)=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-12-5-7-16(8-6-12)24(22,23)20(11-17(19)21)18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3,(H2,19,21)
InChIKeyILDHFDWROQPCNB-UHFFFAOYSA-N
XLogP2.60
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 50891255
2-(N-(4-fluorophenyl)sulfonyl-2,5-dimethylanilino)acetamide
CID 50891717
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50892349
2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 163543244
ethyl 2-(2,4,6-trimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100518788
ethyl 2-(2,4,6-trimethyl-N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100528396
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1203964
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998269
methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate
CID 50889481
propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-2,4,6-trimethylanilino)acetate
CID 50891915
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170439
4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide
CID 102235339

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of 2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 50891881) is 2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for 2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for 2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(N)=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is ILDHFDWROQPCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-5-7-16(8-6-12)24(22,23)20(11-17(19)21)18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3,(H2,19,21).
What are the key properties of 2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 50891881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).