4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide

C20H24N2O2S — CID 11772694

IUPAC4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
SMILESO=C(CS)NCCCCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2S/c23-19(15-25)21-13-5-2-6-14-22-20(24)18-11-9-17(10-12-18)16-7-3-1-4-8-16/h1,3-4,7-12,25H,2,5-6,13-15H2,(H,21,23)(H,22,24)
InChIKeyPLDBDKOMOBRBCJ-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.30
Rot. Bonds9

About 4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide

4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide (PubChem CID 11772694) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
PubChem CID11772694
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
SMILESO=C(CS)NCCCCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2S/c23-19(15-25)21-13-5-2-6-14-22-20(24)18-11-9-17(10-12-18)16-7-3-1-4-8-16/h1,3-4,7-12,25H,2,5-6,13-15H2,(H,21,23)(H,22,24)
InChIKeyPLDBDKOMOBRBCJ-UHFFFAOYSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
The IUPAC name of 4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide (CID 11772694) is 4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
The canonical SMILES for 4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide is O=C(CS)NCCCCCNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
The InChIKey is PLDBDKOMOBRBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-19(15-25)21-13-5-2-6-14-22-20(24)18-11-9-17(10-12-18)16-7-3-1-4-8-16/h1,3-4,7-12,25H,2,5-6,13-15H2,(H,21,23)(H,22,24).
What are the key properties of 4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide has a molecular weight of 356.49 g/mol, XLogP of 3.30, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide is sourced from PubChem (CID 11772694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).