N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide

C13H18N2O2S — CID 11623126

IUPACN-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide
SMILESO=C(CS)NCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O2S/c16-12(15-11-6-2-1-3-7-11)8-4-5-9-14-13(17)10-18/h1-3,6-7,18H,4-5,8-10H2,(H,14,17)(H,15,16)
InChIKeyCFIQQHILXDRCFN-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.84
Rot. Bonds7

About N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide

N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide (PubChem CID 11623126) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide.

Molecular Properties

Compound NameN-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide
PubChem CID11623126
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide
SMILESO=C(CS)NCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O2S/c16-12(15-11-6-2-1-3-7-11)8-4-5-9-14-13(17)10-18/h1-3,6-7,18H,4-5,8-10H2,(H,14,17)(H,15,16)
InChIKeyCFIQQHILXDRCFN-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.84
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 N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide 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

N-[4-(2-aminophenyl)phenyl]-6-[(2-sulfanylacetyl)amino]hexanamide
CID 25032156
N-phenyl-10-sulfanyldecanamide
CID 89127946
N-phenyl-9-sulfanylnonanamide
CID 89127947
6-(2-oxopropanoylamino)-N-phenylhexanamide
CID 162677801
N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide
CID 11716112
6-formamido-N-phenylhexanamide
CID 156509815
S-[2-[(6-anilino-6-oxohexyl)amino]-2-oxoethyl] ethanethioate
CID 11370695
gold;N-phenyl-2-sulfanylacetamide
CID 138394114
6-[[2-(4-aminophenyl)sulfanylacetyl]amino]-N-phenylhexanamide
CID 58756911
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide
CID 118017030

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide?
The IUPAC name of N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide (CID 11623126) is N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide.
What is the SMILES notation for N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide?
The canonical SMILES for N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide is O=C(CS)NCCCCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide?
The InChIKey is CFIQQHILXDRCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-12(15-11-6-2-1-3-7-11)8-4-5-9-14-13(17)10-18/h1-3,6-7,18H,4-5,8-10H2,(H,14,17)(H,15,16).
What are the key properties of N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide?
N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide has a molecular weight of 266.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide is sourced from PubChem (CID 11623126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).