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

C13H13NO2S — CID 1245751

IUPAC5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc(C)o1
InChIInChI=1S/C13H13NO2S/c1-9-7-8-11(16-9)13(15)14-10-5-3-4-6-12(10)17-2/h3-8H,1-2H3,(H,14,15)
InChIKeyUPLBRSHRZGEKMR-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.56
Rot. Bonds3

About 5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide

5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide (PubChem CID 1245751) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide
PubChem CID1245751
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc(C)o1
InChIInChI=1S/C13H13NO2S/c1-9-7-8-11(16-9)13(15)14-10-5-3-4-6-12(10)17-2/h3-8H,1-2H3,(H,14,15)
InChIKeyUPLBRSHRZGEKMR-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

N-Phenyl-2-furancarboxamide
CID 220406
N-(4-acetamidophenyl)-5-acetylfuran-2-carboxamide
CID 155427942
5-methyl-N-(2-phenoxyphenyl)furan-2-carboxamide
CID 690634
N-[4-(phenylsulfanylmethyl)phenyl]furan-2-carboxamide
CID 975641
[2-(2-methylsulfanylanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6017459
N-(4-fluorophenyl)-5-methyl-2-furamide
CID 844599
Methyl 3-[(5-methyl-2-furoyl)amino]-2-thiophenecarboxylate
CID 898058
4,5-dimethyl-N-phenyl-2-furamide
CID 1040061
5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 1130012
N-{4-[(thiophen-2-ylacetyl)amino]phenyl}furan-2-carboxamide
CID 653038
N-[4-(propanoylamino)phenyl]furan-2-carboxamide
CID 655147
5-methyl-N-(3-phenoxyphenyl)-2-furamide
CID 681933

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide (CID 1245751) is 5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide is CSc1ccccc1NC(=O)c1ccc(C)o1.
What is the InChIKey of 5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide?
The InChIKey is UPLBRSHRZGEKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-7-8-11(16-9)13(15)14-10-5-3-4-6-12(10)17-2/h3-8H,1-2H3,(H,14,15).
What are the key properties of 5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide?
5-methyl-N-(2-methylsulfanylphenyl)furan-2-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 5-methyl-N-(2-methylsulfanylphenyl)furan-2-carboxamide is sourced from PubChem (CID 1245751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).