2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

C18H22N2O3S — CID 846688

IUPAC2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-6-9-16(10-7-13)24(22,23)20(12-18(21)19-4)17-11-14(2)5-8-15(17)3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyULBSXWRUFSWABX-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.55
Rot. Bonds5

About 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (PubChem CID 846688) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
PubChem CID846688
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-6-9-16(10-7-13)24(22,23)20(12-18(21)19-4)17-11-14(2)5-8-15(17)3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyULBSXWRUFSWABX-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170439
N-cyclopropyl-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 24776179
N-[(2S)-butan-2-yl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2272420
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30170588
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 1095213
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890127
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30212134
N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126254789
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172772
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylphenyl)acetamide
CID 30173912
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229047
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51343907

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The IUPAC name of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (CID 846688) is 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The canonical SMILES for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is CNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The InChIKey is ULBSXWRUFSWABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-6-9-16(10-7-13)24(22,23)20(12-18(21)19-4)17-11-14(2)5-8-15(17)3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide has a molecular weight of 346.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 846688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).