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

C18H19N3O4S — CID 109059868

IUPAC4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O4S/c1-25-12-2-11-20-18(22)15-5-9-17(10-6-15)26(23,24)21-16-7-3-14(13-19)4-8-16/h3-10,21H,2,11-12H2,1H3,(H,20,22)
InChIKeyCRBZYSVLDKXPNV-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.13
Rot. Bonds8

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

4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide (PubChem CID 109059868) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
PubChem CID109059868
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O4S/c1-25-12-2-11-20-18(22)15-5-9-17(10-6-15)26(23,24)21-16-7-3-14(13-19)4-8-16/h3-10,21H,2,11-12H2,1H3,(H,20,22)
InChIKeyCRBZYSVLDKXPNV-UHFFFAOYSA-N
XLogP2.13
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045241
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109760
4-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323
N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide
CID 109061458
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
(4-cyanophenyl)methyl 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 2368222

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide (CID 109059868) is 4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The InChIKey is CRBZYSVLDKXPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-25-12-2-11-20-18(22)15-5-9-17(10-6-15)26(23,24)21-16-7-3-14(13-19)4-8-16/h3-10,21H,2,11-12H2,1H3,(H,20,22).
What are the key properties of 4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 109059868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).