4-(propylamino)-N-(3-sulfamoylpropyl)benzamide

C13H21N3O3S — CID 62180515

IUPAC4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
SMILESCCCNc1ccc(C(=O)NCCCS(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-2-8-15-12-6-4-11(5-7-12)13(17)16-9-3-10-20(14,18)19/h4-7,15H,2-3,8-10H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyVCEDAHYBYUUACQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.92
Rot. Bonds8

About 4-(propylamino)-N-(3-sulfamoylpropyl)benzamide

4-(propylamino)-N-(3-sulfamoylpropyl)benzamide (PubChem CID 62180515) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(propylamino)-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
PubChem CID62180515
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
SMILESCCCNc1ccc(C(=O)NCCCS(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-2-8-15-12-6-4-11(5-7-12)13(17)16-9-3-10-20(14,18)19/h4-7,15H,2-3,8-10H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyVCEDAHYBYUUACQ-UHFFFAOYSA-N
XLogP0.92
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-4-(propylamino)benzamide
CID 62185567
4-(ethylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169560
N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
CID 106241045
4-methylsulfanyl-N-(3-sulfamoylpropyl)benzamide
CID 112733928
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 47337075
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238
2-[[4-(propylamino)benzoyl]amino]ethyl carbamate
CID 83215122
N-(3-cyclopentylpropyl)-4-(propylamino)benzamide
CID 106015559
5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
CID 107374837
N-(2,3-dimethylbutyl)-4-(propylamino)benzamide
CID 64581359
4-(difluoromethylsulfanyl)-N-(4-sulfamoylbutyl)benzamide
CID 125143860

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 4-(propylamino)-N-(3-sulfamoylpropyl)benzamide (CID 62180515) is 4-(propylamino)-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 4-(propylamino)-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 4-(propylamino)-N-(3-sulfamoylpropyl)benzamide is CCCNc1ccc(C(=O)NCCCS(N)(=O)=O)cc1.
What is the InChIKey of 4-(propylamino)-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is VCEDAHYBYUUACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-8-15-12-6-4-11(5-7-12)13(17)16-9-3-10-20(14,18)19/h4-7,15H,2-3,8-10H2,1H3,(H,16,17)(H2,14,18,19).
What are the key properties of 4-(propylamino)-N-(3-sulfamoylpropyl)benzamide?
4-(propylamino)-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 299.40 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 62180515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).