2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C13H14N2O3S2 — CID 122136491

IUPAC2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCc1occc1SCC(=O)NC(=O)NCc1cccs1
InChIInChI=1S/C13H14N2O3S2/c1-9-11(4-5-18-9)20-8-12(16)15-13(17)14-7-10-3-2-6-19-10/h2-6H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyQINVIDBVTWXTBG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.77
Rot. Bonds5

About 2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 122136491) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID122136491
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCc1occc1SCC(=O)NC(=O)NCc1cccs1
InChIInChI=1S/C13H14N2O3S2/c1-9-11(4-5-18-9)20-8-12(16)15-13(17)14-7-10-3-2-6-19-10/h2-6H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyQINVIDBVTWXTBG-UHFFFAOYSA-N
XLogP2.77
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 86799348
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 27268140
2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 86799328
2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 25416397
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
4-oxo-4-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 43363851
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35040276
2-(dipropylamino)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 34600944
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523762
N-(thiophen-2-ylmethylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 34787943

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 122136491) is 2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide is Cc1occc1SCC(=O)NC(=O)NCc1cccs1.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is QINVIDBVTWXTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-9-11(4-5-18-9)20-8-12(16)15-13(17)14-7-10-3-2-6-19-10/h2-6H,7-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 122136491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).