N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide

C13H10N2O2S — CID 19318373

IUPACN-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide
SMILESN#CCSc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C13H10N2O2S/c14-6-8-18-11-4-1-3-10(9-11)15-13(16)12-5-2-7-17-12/h1-5,7,9H,8H2,(H,15,16)
InChIKeyPNGWZVAFKPYUBB-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.15
Rot. Bonds4

About N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide

N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide (PubChem CID 19318373) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide
PubChem CID19318373
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide
SMILESN#CCSc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C13H10N2O2S/c14-6-8-18-11-4-1-3-10(9-11)15-13(16)12-5-2-7-17-12/h1-5,7,9H,8H2,(H,15,16)
InChIKeyPNGWZVAFKPYUBB-UHFFFAOYSA-N
XLogP3.15
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide
CID 19318751
N-[3-(cyanomethylsulfanyl)phenyl]-4-fluorobenzamide
CID 19318372
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904471
N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide
CID 91376374
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904507
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9402829
N-[3-[1-(3,5-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904552
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913138

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide (CID 19318373) is N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide is N#CCSc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide?
The InChIKey is PNGWZVAFKPYUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c14-6-8-18-11-4-1-3-10(9-11)15-13(16)12-5-2-7-17-12/h1-5,7,9H,8H2,(H,15,16).
What are the key properties of N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide?
N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19318373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).