N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide

C18H23N3OS — CID 46806828

IUPACN-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1cccc(-n2ccnc2SC(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C18H23N3OS/c1-13-6-5-9-16(12-13)21-11-10-19-18(21)23-14(2)17(22)20-15-7-3-4-8-15/h5-6,9-12,14-15H,3-4,7-8H2,1-2H3,(H,20,22)
InChIKeyAIUWFWQWOILCCI-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.72
Rot. Bonds5

About N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide

N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 46806828) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID46806828
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1cccc(-n2ccnc2SC(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C18H23N3OS/c1-13-6-5-9-16(12-13)21-11-10-19-18(21)23-14(2)17(22)20-15-7-3-4-8-15/h5-6,9-12,14-15H,3-4,7-8H2,1-2H3,(H,20,22)
InChIKeyAIUWFWQWOILCCI-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.72
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
(2S)-N-[(1S,2S)-2-methylcyclohexyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51481324
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 31882004
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43024379
N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46677166
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 51236326
(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40730777
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 43015285

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 46806828) is N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide is Cc1cccc(-n2ccnc2SC(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is AIUWFWQWOILCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-6-5-9-16(12-13)21-11-10-19-18(21)23-14(2)17(22)20-15-7-3-4-8-15/h5-6,9-12,14-15H,3-4,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide?
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 329.47 g/mol, XLogP of 3.72, 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-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 46806828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).