2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide

C16H18N2O4S — CID 4578038

IUPAC2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-14-6-2-12(3-7-14)10-16(19)18-11-13-4-8-15(9-5-13)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyWETAEZHEJUPLKT-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.20
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 4578038) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID4578038
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-14-6-2-12(3-7-14)10-16(19)18-11-13-4-8-15(9-5-13)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyWETAEZHEJUPLKT-UHFFFAOYSA-N
XLogP1.20
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 4578038) is 2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide is COc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is WETAEZHEJUPLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-22-14-6-2-12(3-7-14)10-16(19)18-11-13-4-8-15(9-5-13)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 4578038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).