N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide

C18H18N4OS — CID 14459120

IUPACN-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1CSc1nccn1-c1ccccn1
InChIInChI=1S/C18H18N4OS/c1-2-17(23)21-15-8-4-3-7-14(15)13-24-18-20-11-12-22(18)16-9-5-6-10-19-16/h3-12H,2,13H2,1H3,(H,21,23)
InChIKeyLLAFMSHJLUDTBE-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.91
Rot. Bonds6

About N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide

N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide (PubChem CID 14459120) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide
PubChem CID14459120
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1CSc1nccn1-c1ccccn1
InChIInChI=1S/C18H18N4OS/c1-2-17(23)21-15-8-4-3-7-14(15)13-24-18-20-11-12-22(18)16-9-5-6-10-19-16/h3-12H,2,13H2,1H3,(H,21,23)
InChIKeyLLAFMSHJLUDTBE-UHFFFAOYSA-N
XLogP3.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-ethylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
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N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 34715637
N-(2,3-dimethylphenyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
CID 33299222
2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
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CID 10663763
2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide
CID 42254906
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3674449
N-(2-amino-3-pyridinyl)propanamide
CID 174521549
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908533

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide?
The IUPAC name of N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide (CID 14459120) is N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide.
What is the SMILES notation for N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide?
The canonical SMILES for N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide is CCC(=O)Nc1ccccc1CSc1nccn1-c1ccccn1.
What is the InChIKey of N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide?
The InChIKey is LLAFMSHJLUDTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-2-17(23)21-15-8-4-3-7-14(15)13-24-18-20-11-12-22(18)16-9-5-6-10-19-16/h3-12H,2,13H2,1H3,(H,21,23).
What are the key properties of N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide?
N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide has a molecular weight of 338.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide is sourced from PubChem (CID 14459120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).