2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide

C13H13NO2S — CID 1243990

IUPAC2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccoc1C
InChIInChI=1S/C13H13NO2S/c1-9-10(7-8-16-9)13(15)14-11-5-3-4-6-12(11)17-2/h3-8H,1-2H3,(H,14,15)
InChIKeyMOLYUUQPKIPDRW-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.56
Rot. Bonds3

About 2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide

2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide (PubChem CID 1243990) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
PubChem CID1243990
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccoc1C
InChIInChI=1S/C13H13NO2S/c1-9-10(7-8-16-9)13(15)14-11-5-3-4-6-12(11)17-2/h3-8H,1-2H3,(H,14,15)
InChIKeyMOLYUUQPKIPDRW-UHFFFAOYSA-N
XLogP3.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2225644
[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid
CID 58664593
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 47188193
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117271
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
6-methyl-N-(2-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 87009467
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
N-[3-[(2-ethoxyphenyl)carbamoyl]thiophen-2-yl]-2-methylfuran-3-carboxamide
CID 1246559
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide (CID 1243990) is 2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide is CSc1ccccc1NC(=O)c1ccoc1C.
What is the InChIKey of 2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide?
The InChIKey is MOLYUUQPKIPDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-10(7-8-16-9)13(15)14-11-5-3-4-6-12(11)17-2/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide?
2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide is sourced from PubChem (CID 1243990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).