2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide

C18H23N3O2S — CID 18149503

IUPAC2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C18H23N3O2S/c1-13(11-23-2)20-17(22)12-24-18-19-10-16(21(18)15-8-9-15)14-6-4-3-5-7-14/h3-7,10,13,15H,8-9,11-12H2,1-2H3,(H,20,22)
InChIKeyYOTJXNIRXOANCT-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.13
Rot. Bonds8

About 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide

2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 18149503) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
PubChem CID18149503
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C18H23N3O2S/c1-13(11-23-2)20-17(22)12-24-18-19-10-16(21(18)15-8-9-15)14-6-4-3-5-7-14/h3-7,10,13,15H,8-9,11-12H2,1-2H3,(H,20,22)
InChIKeyYOTJXNIRXOANCT-UHFFFAOYSA-N
XLogP3.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 17439573
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 17437882
2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7360271
methyl 4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]benzoate
CID 18267471
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17439146
3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 18149523
2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440417
N-cyclopropyl-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 24623082
2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7906271
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51190971
N-(1-methoxypropan-2-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 18079402
1-[3-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-4-methoxyphenyl]ethanone
CID 18275943

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide (CID 18149503) is 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is YOTJXNIRXOANCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13(11-23-2)20-17(22)12-24-18-19-10-16(21(18)15-8-9-15)14-6-4-3-5-7-14/h3-7,10,13,15H,8-9,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 18149503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).