2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide

C20H18N2O4S — CID 2221794

IUPAC2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide
SMILESNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18N2O4S/c21-20(23)15-22(27(24,25)19-9-5-2-6-10-19)16-11-13-18(14-12-16)26-17-7-3-1-4-8-17/h1-14H,15H2,(H2,21,23)
InChIKeyVFUKGSYOIMPIAS-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.16
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide

2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide (PubChem CID 2221794) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide
PubChem CID2221794
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide
SMILESNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18N2O4S/c21-20(23)15-22(27(24,25)19-9-5-2-6-10-19)16-11-13-18(14-12-16)26-17-7-3-1-4-8-17/h1-14H,15H2,(H2,21,23)
InChIKeyVFUKGSYOIMPIAS-UHFFFAOYSA-N
XLogP3.16
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide (CID 2221794) is 2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide is NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide?
The InChIKey is VFUKGSYOIMPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c21-20(23)15-22(27(24,25)19-9-5-2-6-10-19)16-11-13-18(14-12-16)26-17-7-3-1-4-8-17/h1-14H,15H2,(H2,21,23).
What are the key properties of 2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide?
2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide has a molecular weight of 382.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide is sourced from PubChem (CID 2221794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).