4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide

C19H24N4O4S — CID 118724329

IUPAC4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N4O4S/c20-28(26,27)17-10-8-16(9-11-17)13-22-18(24)7-4-12-21-19(25)23-14-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,24)(H2,20,26,27)(H2,21,23,25)
InChIKeyJCCDIFAGFKPVRO-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.23
Rot. Bonds9

About 4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide

4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide (PubChem CID 118724329) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide
PubChem CID118724329
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N4O4S/c20-28(26,27)17-10-8-16(9-11-17)13-22-18(24)7-4-12-21-19(25)23-14-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,24)(H2,20,26,27)(H2,21,23,25)
InChIKeyJCCDIFAGFKPVRO-UHFFFAOYSA-N
XLogP1.23
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide?
The IUPAC name of 4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide (CID 118724329) is 4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide?
The canonical SMILES for 4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide is NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide?
The InChIKey is JCCDIFAGFKPVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c20-28(26,27)17-10-8-16(9-11-17)13-22-18(24)7-4-12-21-19(25)23-14-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,24)(H2,20,26,27)(H2,21,23,25).
What are the key properties of 4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide?
4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide has a molecular weight of 404.49 g/mol, XLogP of 1.23, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide is sourced from PubChem (CID 118724329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).