4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide

C20H26N4O4S — CID 118724331

IUPAC4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H26N4O4S/c21-29(27,28)18-10-8-17(9-11-18)15-24-19(25)7-4-13-22-20(26)23-14-12-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-15H2,(H,24,25)(H2,21,27,28)(H2,22,23,26)
InChIKeyFTNXMXKINNNZSA-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.27
Rot. Bonds10

About 4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide

4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide (PubChem CID 118724331) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide
PubChem CID118724331
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H26N4O4S/c21-29(27,28)18-10-8-17(9-11-18)15-24-19(25)7-4-13-22-20(26)23-14-12-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-15H2,(H,24,25)(H2,21,27,28)(H2,22,23,26)
InChIKeyFTNXMXKINNNZSA-UHFFFAOYSA-N
XLogP1.27
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide 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

1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-2-4-(trans-4-methylcyclohexyl)aminocarbonylaminosulfonylphenylethyl-2-oxo-
CID 3476
4-(2-((Cyclohexylcarbamoyl)amino)ethyl)benzenesulfonamide
CID 841429
2-phenyl-N-(4-sulfamoylbenzyl)acetamide
CID 4119643
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
Tosifen
CID 36102
Sulfonamide deriv., 7c
CID 3433937
4-sulfamoyl-N-(2-(4-sulfamoylphenyl)ethyl)benzamide
CID 10385283
N-[2-(4-sulfamoylphenyl)ethyl]-3-[(2-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl)disulfanyl]propanamide
CID 16082757
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-2-phenylacetamide
CID 2569005

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide?
The IUPAC name of 4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide (CID 118724331) is 4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide?
The canonical SMILES for 4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide is NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide?
The InChIKey is FTNXMXKINNNZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c21-29(27,28)18-10-8-17(9-11-18)15-24-19(25)7-4-13-22-20(26)23-14-12-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-15H2,(H,24,25)(H2,21,27,28)(H2,22,23,26).
What are the key properties of 4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide?
4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide has a molecular weight of 418.52 g/mol, XLogP of 1.27, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylcarbamoylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide is sourced from PubChem (CID 118724331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).