2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide

C16H19N3O2S — CID 17435516

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nccn2C2CC2)cc1
InChIInChI=1S/C16H19N3O2S/c1-2-21-14-7-3-12(4-8-14)18-15(20)11-22-16-17-9-10-19(16)13-5-6-13/h3-4,7-10,13H,2,5-6,11H2,1H3,(H,18,20)
InChIKeyORRAPEFPEBNRHV-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.35
Rot. Bonds7

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 17435516) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID17435516
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nccn2C2CC2)cc1
InChIInChI=1S/C16H19N3O2S/c1-2-21-14-7-3-12(4-8-14)18-15(20)11-22-16-17-9-10-19(16)13-5-6-13/h3-4,7-10,13H,2,5-6,11H2,1H3,(H,18,20)
InChIKeyORRAPEFPEBNRHV-UHFFFAOYSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 47137410
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22585440
4-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 55486397
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 16587926
dimethyl 5-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate
CID 51308558
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 8970461
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46688550
N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 23973496
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 17438297
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 989356
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 16587969

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 17435516) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nccn2C2CC2)cc1.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is ORRAPEFPEBNRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-21-14-7-3-12(4-8-14)18-15(20)11-22-16-17-9-10-19(16)13-5-6-13/h3-4,7-10,13H,2,5-6,11H2,1H3,(H,18,20).
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 17435516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).