2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide

C17H20N2O3S — CID 2250796

IUPAC2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-3-18-17(20)13-19(15-11-9-14(2)10-12-15)23(21,22)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyLEAYRGPQANKGBW-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.33
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide

2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide (PubChem CID 2250796) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide
PubChem CID2250796
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-3-18-17(20)13-19(15-11-9-14(2)10-12-15)23(21,22)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyLEAYRGPQANKGBW-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide (CID 2250796) is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide is CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide?
The InChIKey is LEAYRGPQANKGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-18-17(20)13-19(15-11-9-14(2)10-12-15)23(21,22)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,18,20).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide?
2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide has a molecular weight of 332.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-ethylacetamide is sourced from PubChem (CID 2250796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).