3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide

C16H18N2O4S — CID 887911

IUPAC3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-13-5-9-15(10-6-13)23(17,20)21/h2-3,5-10H,4,11H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyNUWDTDUSEWJIGJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.91
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide

3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 887911) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID887911
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-13-5-9-15(10-6-13)23(17,20)21/h2-3,5-10H,4,11H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyNUWDTDUSEWJIGJ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide (CID 887911) is 3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is NUWDTDUSEWJIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-13-5-9-15(10-6-13)23(17,20)21/h2-3,5-10H,4,11H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 334.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 887911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).