N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide

C19H16N2O3S — CID 1093492

IUPACN-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(CSc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H16N2O3S/c22-18(13-25-16-8-2-1-3-9-16)20-14-6-4-7-15(12-14)21-19(23)17-10-5-11-24-17/h1-12H,13H2,(H,20,22)(H,21,23)
InChIKeyKQSBWAXZTCTQHH-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.26
Rot. Bonds6

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

N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide (PubChem CID 1093492) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
PubChem CID1093492
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(CSc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H16N2O3S/c22-18(13-25-16-8-2-1-3-9-16)20-14-6-4-7-15(12-14)21-19(23)17-10-5-11-24-17/h1-12H,13H2,(H,20,22)(H,21,23)
InChIKeyKQSBWAXZTCTQHH-UHFFFAOYSA-N
XLogP4.26
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 2993149
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904471
N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18913164
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide
CID 19318751
N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
CID 34266144
N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 19630614
N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide
CID 19318373
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904507
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide (CID 1093492) is N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide is O=C(CSc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is KQSBWAXZTCTQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-18(13-25-16-8-2-1-3-9-16)20-14-6-4-7-15(12-14)21-19(23)17-10-5-11-24-17/h1-12H,13H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide?
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1093492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).