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

C14H20N2O2S — CID 11482903

IUPACN-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
SMILESO=C(CS)NCCCCCNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c17-13(11-19)15-9-5-2-6-10-16-14(18)12-7-3-1-4-8-12/h1,3-4,7-8,19H,2,5-6,9-11H2,(H,15,17)(H,16,18)
InChIKeyQVFDBBVDKHQFAF-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.63
Rot. Bonds8

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

N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide (PubChem CID 11482903) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide.

Molecular Properties

Compound NameN-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
PubChem CID11482903
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
SMILESO=C(CS)NCCCCCNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c17-13(11-19)15-9-5-2-6-10-16-14(18)12-7-3-1-4-8-12/h1,3-4,7-8,19H,2,5-6,9-11H2,(H,15,17)(H,16,18)
InChIKeyQVFDBBVDKHQFAF-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.63
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'}

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Related Compounds

N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
S-[2-(6-benzamidohexylamino)-2-oxoethyl] ethanethioate
CID 58608910
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-(8-benzamidooctyl)-N'-(1,3-dihydroxypropan-2-yl)butanediamide
CID 16751773
5-methyl-3-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]-1,2-oxazole-4-carboxamide
CID 57328394
N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide
CID 11623126
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
The IUPAC name of N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide (CID 11482903) is N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide.
What is the SMILES notation for N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
The canonical SMILES for N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide is O=C(CS)NCCCCCNC(=O)c1ccccc1.
What is the InChIKey of N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
The InChIKey is QVFDBBVDKHQFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-13(11-19)15-9-5-2-6-10-16-14(18)12-7-3-1-4-8-12/h1,3-4,7-8,19H,2,5-6,9-11H2,(H,15,17)(H,16,18).
What are the key properties of N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide has a molecular weight of 280.39 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide is sourced from PubChem (CID 11482903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).