2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide

C22H23N3O2S — CID 17437882

IUPAC2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2ncc(-c3ccccc3)n2C2CC2)cc1
InChIInChI=1S/C22H23N3O2S/c1-27-19-11-7-16(8-12-19)13-23-21(26)15-28-22-24-14-20(25(22)18-9-10-18)17-5-3-2-4-6-17/h2-8,11-12,14,18H,9-10,13,15H2,1H3,(H,23,26)
InChIKeyDXOXREXXBSHAPM-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.30
Rot. Bonds8

About 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide

2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 17437882) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID17437882
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2ncc(-c3ccccc3)n2C2CC2)cc1
InChIInChI=1S/C22H23N3O2S/c1-27-19-11-7-16(8-12-19)13-23-21(26)15-28-22-24-14-20(25(22)18-9-10-18)17-5-3-2-4-6-17/h2-8,11-12,14,18H,9-10,13,15H2,1H3,(H,23,26)
InChIKeyDXOXREXXBSHAPM-UHFFFAOYSA-N
XLogP4.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 24623082
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 17439573
methyl 4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]benzoate
CID 18267471
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 17438297
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17439146
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 40657001
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8878756
N-[(4-chlorophenyl)methyl]-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 46688536
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 17234223
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 3228988
2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440417

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 17437882) is 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSc2ncc(-c3ccccc3)n2C2CC2)cc1.
What is the InChIKey of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is DXOXREXXBSHAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-27-19-11-7-16(8-12-19)13-23-21(26)15-28-22-24-14-20(25(22)18-9-10-18)17-5-3-2-4-6-17/h2-8,11-12,14,18H,9-10,13,15H2,1H3,(H,23,26).
What are the key properties of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.30, 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-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 17437882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).