5-(phenylsulfanylmethyl)furan-2-carboxamide

C12H11NO2S — CID 82041274

IUPAC5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESNC(=O)c1ccc(CSc2ccccc2)o1
InChIInChI=1S/C12H11NO2S/c13-12(14)11-7-6-9(15-11)8-16-10-4-2-1-3-5-10/h1-7H,8H2,(H2,13,14)
InChIKeyMOCDPJCONKPZCV-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.67
Rot. Bonds4

About 5-(phenylsulfanylmethyl)furan-2-carboxamide

5-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 82041274) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID82041274
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESNC(=O)c1ccc(CSc2ccccc2)o1
InChIInChI=1S/C12H11NO2S/c13-12(14)11-7-6-9(15-11)8-16-10-4-2-1-3-5-10/h1-7H,8H2,(H2,13,14)
InChIKeyMOCDPJCONKPZCV-UHFFFAOYSA-N
XLogP2.67
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886
5-[(4-bromophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 20992888
5-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 22680377
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 2973100
[4-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl] thiocyanate
CID 2985076
5-[[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 111908621
N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 4897775
[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-[5-(phenylsulfanylmethyl)furan-2-yl]methanone
CID 96579016
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 163304702
S-(4-benzylsulfanylphenyl) carbamothioate
CID 145451020
5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582387
N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
CID 63582844

Frequently Asked Questions

What is the IUPAC name of 5-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(phenylsulfanylmethyl)furan-2-carboxamide (CID 82041274) is 5-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(phenylsulfanylmethyl)furan-2-carboxamide is NC(=O)c1ccc(CSc2ccccc2)o1.
What is the InChIKey of 5-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is MOCDPJCONKPZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c13-12(14)11-7-6-9(15-11)8-16-10-4-2-1-3-5-10/h1-7H,8H2,(H2,13,14).
What are the key properties of 5-(phenylsulfanylmethyl)furan-2-carboxamide?
5-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 233.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 82041274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).