N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide

C17H21N3OS — CID 71898774

IUPACN-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
SMILESCC(Sc1nccn1-c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C17H21N3OS/c1-13(16(21)19-14-7-5-6-8-14)22-17-18-11-12-20(17)15-9-3-2-4-10-15/h2-4,9-14H,5-8H2,1H3,(H,19,21)
InChIKeyMTNZUHPKALNLFO-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.41
Rot. Bonds5

About N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide

N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide (PubChem CID 71898774) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
PubChem CID71898774
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
SMILESCC(Sc1nccn1-c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C17H21N3OS/c1-13(16(21)19-14-7-5-6-8-14)22-17-18-11-12-20(17)15-9-3-2-4-10-15/h2-4,9-14H,5-8H2,1H3,(H,19,21)
InChIKeyMTNZUHPKALNLFO-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 46811464
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 31882004
N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 42944870
(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40730777
(2S)-N-[(1S,2S)-2-methylcyclohexyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51481324
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 33235361
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
(2R)-N-cyclopentyl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2632076
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 34852732
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide (CID 71898774) is N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide is CC(Sc1nccn1-c1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is MTNZUHPKALNLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13(16(21)19-14-7-5-6-8-14)22-17-18-11-12-20(17)15-9-3-2-4-10-15/h2-4,9-14H,5-8H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide?
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 71898774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).