2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide

C13H15NO2S2 — CID 86799328

IUPAC2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2ccoc2C)s1
InChIInChI=1S/C13H15NO2S2/c1-9-3-4-11(18-9)7-14-13(15)8-17-12-5-6-16-10(12)2/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyGBOYINVQEXLTAB-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.37
Rot. Bonds5

About 2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 86799328) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID86799328
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2ccoc2C)s1
InChIInChI=1S/C13H15NO2S2/c1-9-3-4-11(18-9)7-14-13(15)8-17-12-5-6-16-10(12)2/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyGBOYINVQEXLTAB-UHFFFAOYSA-N
XLogP3.37
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114001042
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 122136491
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 86799348
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 55870041
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305
2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62055681
2-[(5-methylthiophen-2-yl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 62056404

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 86799328) is 2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)CSc2ccoc2C)s1.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is GBOYINVQEXLTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-9-3-4-11(18-9)7-14-13(15)8-17-12-5-6-16-10(12)2/h3-6H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 86799328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).