2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide

C19H25N3OS — CID 24598085

IUPAC2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESCc1nc(SC(C(N)=O)c2ccccc2)n(C2CCCCC2)c1C
InChIInChI=1S/C19H25N3OS/c1-13-14(2)22(16-11-7-4-8-12-16)19(21-13)24-17(18(20)23)15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,4,7-8,11-12H2,1-2H3,(H2,20,23)
InChIKeySAXIVUDAXZPJQR-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.32
Rot. Bonds5

About 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide

2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 24598085) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide
PubChem CID24598085
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESCc1nc(SC(C(N)=O)c2ccccc2)n(C2CCCCC2)c1C
InChIInChI=1S/C19H25N3OS/c1-13-14(2)22(16-11-7-4-8-12-16)19(21-13)24-17(18(20)23)15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,4,7-8,11-12H2,1-2H3,(H2,20,23)
InChIKeySAXIVUDAXZPJQR-UHFFFAOYSA-N
XLogP4.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 40670039
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 36826912
(2S)-2-[1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dimethylimidazol-2-yl]sulfanyl-2-phenylacetamide
CID 124734722
2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 42886979
N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide
CID 55375083
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 74605508
N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 46625671
(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide
CID 40657072
(2R)-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41156823
N-cyclohexyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylpropanamide
CID 75853849
(2R)-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenylacetamide
CID 41156113
(2S)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7416988

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide (CID 24598085) is 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide is Cc1nc(SC(C(N)=O)c2ccccc2)n(C2CCCCC2)c1C.
What is the InChIKey of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is SAXIVUDAXZPJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-13-14(2)22(16-11-7-4-8-12-16)19(21-13)24-17(18(20)23)15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,4,7-8,11-12H2,1-2H3,(H2,20,23).
What are the key properties of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide?
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 343.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 24598085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).