N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide

C24H19N3O3S — CID 78861185

IUPACN-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2occc2CSc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C24H19N3O3S/c28-23(17-9-12-25-13-10-17)26-19-5-4-6-20(15-19)27-24(29)22-18(11-14-30-22)16-31-21-7-2-1-3-8-21/h1-15H,16H2,(H,26,28)(H,27,29)
InChIKeyNZSCRKMRNQRFOJ-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.47
Rot. Bonds7

About N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide

N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 78861185) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID78861185
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2occc2CSc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C24H19N3O3S/c28-23(17-9-12-25-13-10-17)26-19-5-4-6-20(15-19)27-24(29)22-18(11-14-30-22)16-31-21-7-2-1-3-8-21/h1-15H,16H2,(H,26,28)(H,27,29)
InChIKeyNZSCRKMRNQRFOJ-UHFFFAOYSA-N
XLogP5.47
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 134046258
N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78891799
3-(phenylsulfanylmethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-2-carboxamide
CID 112815046
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78863795
N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78829710
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 112803797
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
N-[3-[[(2R)-2-hydroxy-2-phenylacetyl]amino]phenyl]pyridine-4-carboxamide
CID 122132708
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581820
2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 39677967
N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide (CID 78861185) is N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(NC(=O)c2occc2CSc2ccccc2)c1)c1ccncc1.
What is the InChIKey of N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is NZSCRKMRNQRFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c28-23(17-9-12-25-13-10-17)26-19-5-4-6-20(15-19)27-24(29)22-18(11-14-30-22)16-31-21-7-2-1-3-8-21/h1-15H,16H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 78861185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).