2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

C20H23N3OS2 — CID 24578282

IUPAC2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(C)c1ccc(-n2ccnc2SCC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C20H23N3OS2/c1-15(2)16-5-7-17(8-6-16)23-12-11-22-20(23)26-14-19(24)21-10-9-18-4-3-13-25-18/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,21,24)
InChIKeyIHHPXJAYZRMGHO-UHFFFAOYSA-N
MW385.56 g/mol
LogP4.51
Rot. Bonds8

About 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 24578282) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID24578282
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC Name2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(C)c1ccc(-n2ccnc2SCC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C20H23N3OS2/c1-15(2)16-5-7-17(8-6-16)23-12-11-22-20(23)26-14-19(24)21-10-9-18-4-3-13-25-18/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,21,24)
InChIKeyIHHPXJAYZRMGHO-UHFFFAOYSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 8002476
N'-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 51431650
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 7561500
N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 29485995
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 25406211
N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide
CID 18268677
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 34852732
2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 18208318
N-[2-(2-methoxyphenyl)ethyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40661407
2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 39898028
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide
CID 46675872
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4166755

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (CID 24578282) is 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is CC(C)c1ccc(-n2ccnc2SCC(=O)NCCc2cccs2)cc1.
What is the InChIKey of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is IHHPXJAYZRMGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS2/c1-15(2)16-5-7-17(8-6-16)23-12-11-22-20(23)26-14-19(24)21-10-9-18-4-3-13-25-18/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,21,24).
What are the key properties of 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 385.56 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 24578282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).