2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide

C19H19N3OS — CID 18139283

IUPAC2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESCCn1c(-c2ccccc2)cnc1SC(C(N)=O)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-2-22-16(14-9-5-3-6-10-14)13-21-19(22)24-17(18(20)23)15-11-7-4-8-12-15/h3-13,17H,2H2,1H3,(H2,20,23)
InChIKeyLVJAOBXTNOHBSX-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.89
Rot. Bonds6

About 2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide

2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 18139283) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
PubChem CID18139283
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESCCn1c(-c2ccccc2)cnc1SC(C(N)=O)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-2-22-16(14-9-5-3-6-10-14)13-21-19(22)24-17(18(20)23)15-11-7-4-8-12-15/h3-13,17H,2H2,1H3,(H2,20,23)
InChIKeyLVJAOBXTNOHBSX-UHFFFAOYSA-N
XLogP3.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 18134997
(2S)-2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 40810601
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 86790555
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809
2-[1-(3-methylbutyl)-5-phenylimidazol-2-yl]sulfanylacetic acid
CID 43327211
2-(1-butyl-5-phenylimidazol-2-yl)sulfanylacetic acid
CID 43327210
(2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 40670790
N-cyclopropyl-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-2-phenylacetamide
CID 24591748
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 16592251
3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide
CID 166211838
(2R)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetic acid
CID 40917533
2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 18134923

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of 2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide (CID 18139283) is 2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for 2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for 2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide is CCn1c(-c2ccccc2)cnc1SC(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is LVJAOBXTNOHBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-2-22-16(14-9-5-3-6-10-14)13-21-19(22)24-17(18(20)23)15-11-7-4-8-12-15/h3-13,17H,2H2,1H3,(H2,20,23).
What are the key properties of 2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide?
2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 337.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 18139283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).