3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide

C18H22N2O5S — CID 26593268

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H22N2O5S/c1-24-12-4-11-19-18(21)14-5-3-6-17(13-14)26(22,23)20-15-7-9-16(25-2)10-8-15/h3,5-10,13,20H,4,11-12H2,1-2H3,(H,19,21)
InChIKeyDZTNHIUTCKPWPH-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.26
Rot. Bonds9

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

3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide (PubChem CID 26593268) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
PubChem CID26593268
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H22N2O5S/c1-24-12-4-11-19-18(21)14-5-3-6-17(13-14)26(22,23)20-15-7-9-16(25-2)10-8-15/h3,5-10,13,20H,4,11-12H2,1-2H3,(H,19,21)
InChIKeyDZTNHIUTCKPWPH-UHFFFAOYSA-N
XLogP2.26
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109757
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide (CID 26593268) is 3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The InChIKey is DZTNHIUTCKPWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-12-4-11-19-18(21)14-5-3-6-17(13-14)26(22,23)20-15-7-9-16(25-2)10-8-15/h3,5-10,13,20H,4,11-12H2,1-2H3,(H,19,21).
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide has a molecular weight of 378.45 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 26593268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).