N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

C24H22N4O4S — CID 18913164

IUPACN-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESCc1c(NC(=O)CSc2cccc(NC(=O)c3ccco3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H22N4O4S/c1-16-22(24(31)28(27(16)2)18-9-4-3-5-10-18)26-21(29)15-33-19-11-6-8-17(14-19)25-23(30)20-12-7-13-32-20/h3-14H,15H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyAPTDZCLUAZJYJQ-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.06
Rot. Bonds7

About N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 18913164) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
PubChem CID18913164
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESCc1c(NC(=O)CSc2cccc(NC(=O)c3ccco3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H22N4O4S/c1-16-22(24(31)28(27(16)2)18-9-4-3-5-10-18)26-21(29)15-33-19-11-6-8-17(14-19)25-23(30)20-12-7-13-32-20/h3-14H,15H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyAPTDZCLUAZJYJQ-UHFFFAOYSA-N
XLogP4.06
TPSA98.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18898872
N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299276
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1412018
N-[4-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41227202
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 11729560
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799589
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904471
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904507
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide
CID 19318751

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (CID 18913164) is N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is Cc1c(NC(=O)CSc2cccc(NC(=O)c3ccco3)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is APTDZCLUAZJYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-16-22(24(31)28(27(16)2)18-9-4-3-5-10-18)26-21(29)15-33-19-11-6-8-17(14-19)25-23(30)20-12-7-13-32-20/h3-14H,15H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 18913164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).