2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C13H16N4O2S2 — CID 25416397

IUPAC2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCCn1ccnc1SCC(=O)NC(=O)NCc1cccs1
InChIInChI=1S/C13H16N4O2S2/c1-2-17-6-5-14-13(17)21-9-11(18)16-12(19)15-8-10-4-3-7-20-10/h3-7H,2,8-9H2,1H3,(H2,15,16,18,19)
InChIKeyBDHRMVHTAQBEOL-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.08
Rot. Bonds6

About 2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 25416397) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID25416397
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCCn1ccnc1SCC(=O)NC(=O)NCc1cccs1
InChIInChI=1S/C13H16N4O2S2/c1-2-17-6-5-14-13(17)21-9-11(18)16-12(19)15-8-10-4-3-7-20-10/h3-7H,2,8-9H2,1H3,(H2,15,16,18,19)
InChIKeyBDHRMVHTAQBEOL-UHFFFAOYSA-N
XLogP2.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 25406211
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 34789445
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 27268140
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144
2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 122136491
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523762
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40755966
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9478119
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35040276
2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24522910
N-(thiophen-2-ylmethylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 34787943
2-[(5-oxo-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 27270099

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 25416397) is 2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide is CCn1ccnc1SCC(=O)NC(=O)NCc1cccs1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is BDHRMVHTAQBEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-2-17-6-5-14-13(17)21-9-11(18)16-12(19)15-8-10-4-3-7-20-10/h3-7H,2,8-9H2,1H3,(H2,15,16,18,19).
What are the key properties of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 324.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 25416397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).