5-phenyl-2-pyridin-2-ylsulfanylpentanamide

C16H18N2OS — CID 11119704

IUPAC5-phenyl-2-pyridin-2-ylsulfanylpentanamide
SMILESNC(=O)C(CCCc1ccccc1)Sc1ccccn1
InChIInChI=1S/C16H18N2OS/c17-16(19)14(20-15-11-4-5-12-18-15)10-6-9-13-7-2-1-3-8-13/h1-5,7-8,11-12,14H,6,9-10H2,(H2,17,19)
InChIKeyJNFZWDLANGFZRE-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.05
Rot. Bonds7

About 5-phenyl-2-pyridin-2-ylsulfanylpentanamide

5-phenyl-2-pyridin-2-ylsulfanylpentanamide (PubChem CID 11119704) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-phenyl-2-pyridin-2-ylsulfanylpentanamide.

Molecular Properties

Compound Name5-phenyl-2-pyridin-2-ylsulfanylpentanamide
PubChem CID11119704
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name5-phenyl-2-pyridin-2-ylsulfanylpentanamide
SMILESNC(=O)C(CCCc1ccccc1)Sc1ccccn1
InChIInChI=1S/C16H18N2OS/c17-16(19)14(20-15-11-4-5-12-18-15)10-6-9-13-7-2-1-3-8-13/h1-5,7-8,11-12,14H,6,9-10H2,(H2,17,19)
InChIKeyJNFZWDLANGFZRE-UHFFFAOYSA-N
XLogP3.05
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-ylsulfanylpentanamide;hydrochloride
CID 21127939
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride
CID 21151060
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024
2-hydroxy-8-phenyloctanamide
CID 66822616
2-phenyl-2-pyridin-2-ylsulfanylacetic acid
CID 18073234
1-amino-6-phenyl-2-pyridin-2-ylhexan-3-ol
CID 80527008
2-(2-phenylethyl)propanediamide
CID 66660020
2-(benzylsulfanylmethyl)-5-phenylpentanoic acid
CID 18533017
dimethyl (2S,3S)-2,3-bis(pyridin-2-ylsulfanyl)butanedioate
CID 7140272
pyridin-2-ylsulfanyl (2S)-2-amino-3-phenylpropanoate
CID 67941312
(2R)-2-[(2-phenylacetyl)amino]-3-pyridin-2-ylsulfanylpropanoic acid
CID 149150673

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-pyridin-2-ylsulfanylpentanamide?
The IUPAC name of 5-phenyl-2-pyridin-2-ylsulfanylpentanamide (CID 11119704) is 5-phenyl-2-pyridin-2-ylsulfanylpentanamide.
What is the SMILES notation for 5-phenyl-2-pyridin-2-ylsulfanylpentanamide?
The canonical SMILES for 5-phenyl-2-pyridin-2-ylsulfanylpentanamide is NC(=O)C(CCCc1ccccc1)Sc1ccccn1.
What is the InChIKey of 5-phenyl-2-pyridin-2-ylsulfanylpentanamide?
The InChIKey is JNFZWDLANGFZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c17-16(19)14(20-15-11-4-5-12-18-15)10-6-9-13-7-2-1-3-8-13/h1-5,7-8,11-12,14H,6,9-10H2,(H2,17,19).
What are the key properties of 5-phenyl-2-pyridin-2-ylsulfanylpentanamide?
5-phenyl-2-pyridin-2-ylsulfanylpentanamide has a molecular weight of 286.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-pyridin-2-ylsulfanylpentanamide is sourced from PubChem (CID 11119704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).