4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide

C18H23N3O4S — CID 119431352

IUPAC4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-19-12-3-13-20-18(22)14-4-10-17(11-5-14)26(23,24)21-15-6-8-16(25-2)9-7-15/h4-11,19,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyRWVZGMMPLRHJND-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.84
Rot. Bonds9

About 4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide

4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide (PubChem CID 119431352) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
PubChem CID119431352
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-19-12-3-13-20-18(22)14-4-10-17(11-5-14)26(23,24)21-15-6-8-16(25-2)9-7-15/h4-11,19,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyRWVZGMMPLRHJND-UHFFFAOYSA-N
XLogP1.84
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25466941
N-[2-(azepan-1-yl)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 37297933
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109760
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396012
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55869875
N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
CID 2447787
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059868
methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109757

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide (CID 119431352) is 4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide?
The InChIKey is RWVZGMMPLRHJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-19-12-3-13-20-18(22)14-4-10-17(11-5-14)26(23,24)21-15-6-8-16(25-2)9-7-15/h4-11,19,21H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide?
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide has a molecular weight of 377.47 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 119431352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).