2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

C23H21N3OS2 — CID 18208318

IUPAC2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)NCCc1cccs1
InChIInChI=1S/C23H21N3OS2/c27-22(24-14-13-20-12-7-15-28-20)17-29-23-25-16-21(18-8-3-1-4-9-18)26(23)19-10-5-2-6-11-19/h1-12,15-16H,13-14,17H2,(H,24,27)
InChIKeyIJWLOKXBJUJSNH-UHFFFAOYSA-N
MW419.58 g/mol
LogP5.05
Rot. Bonds8

About 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 18208318) has the molecular formula C23H21N3OS2 and a molecular weight of 419.58 g/mol. Its IUPAC name is 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID18208318
Molecular FormulaC23H21N3OS2
Molecular Weight419.58 g/mol
Exact Mass419.11
IUPAC Name2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)NCCc1cccs1
InChIInChI=1S/C23H21N3OS2/c27-22(24-14-13-20-12-7-15-28-20)17-29-23-25-16-21(18-8-3-1-4-9-18)26(23)19-10-5-2-6-11-19/h1-12,15-16H,13-14,17H2,(H,24,27)
InChIKeyIJWLOKXBJUJSNH-UHFFFAOYSA-N
XLogP5.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 40518719
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 8955996
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 46821378
2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 17431064
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 28574230
2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55384446
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24578282
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 41422213
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 40517895
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7628384
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide
CID 9465156
methyl (2S)-2-[[2-(1,5-diphenylimidazol-2-yl)sulfanylacetyl]amino]-4-methylpentanoate
CID 40964364

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (CID 18208318) is 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)NCCc1cccs1.
What is the InChIKey of 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is IJWLOKXBJUJSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS2/c27-22(24-14-13-20-12-7-15-28-20)17-29-23-25-16-21(18-8-3-1-4-9-18)26(23)19-10-5-2-6-11-19/h1-12,15-16H,13-14,17H2,(H,24,27).
What are the key properties of 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 419.58 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 18208318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).