N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

C19H14Cl2N2O3S — CID 18904471

IUPACN-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H14Cl2N2O3S/c20-14-6-2-7-15(18(14)21)23-17(24)11-27-13-5-1-4-12(10-13)22-19(25)16-8-3-9-26-16/h1-10H,11H2,(H,22,25)(H,23,24)
InChIKeyGRRRTPRJOQFDKU-UHFFFAOYSA-N
MW421.31 g/mol
LogP5.57
Rot. Bonds6

About N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 18904471) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
PubChem CID18904471
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC NameN-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H14Cl2N2O3S/c20-14-6-2-7-15(18(14)21)23-17(24)11-27-13-5-1-4-12(10-13)22-19(25)16-8-3-9-26-16/h1-10H,11H2,(H,22,25)(H,23,24)
InChIKeyGRRRTPRJOQFDKU-UHFFFAOYSA-N
XLogP5.57
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 18901591
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 2993149
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904507
(E)-N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 18901879
N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 1299860
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-[3-(cyanomethylsulfanyl)phenyl]furan-2-carboxamide
CID 19318373
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide
CID 19318751
N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18913164
N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 18902448

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (CID 18904471) is N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is O=C(CSc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is GRRRTPRJOQFDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c20-14-6-2-7-15(18(14)21)23-17(24)11-27-13-5-1-4-12(10-13)22-19(25)16-8-3-9-26-16/h1-10H,11H2,(H,22,25)(H,23,24).
What are the key properties of N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 421.31 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 18904471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).