N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide

C24H21N3O4S — CID 659988

IUPACN-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1
InChIInChI=1S/C24H21N3O4S/c1-14(28)15-7-9-16(10-8-15)26-21(30)13-32-24-17(12-25)22(20-6-3-11-31-20)23-18(27-24)4-2-5-19(23)29/h3,6-11,22,27H,2,4-5,13H2,1H3,(H,26,30)
InChIKeyFFHZBSVRXGFKKB-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.28
Rot. Bonds6

About N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide

N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide (PubChem CID 659988) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
PubChem CID659988
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1
InChIInChI=1S/C24H21N3O4S/c1-14(28)15-7-9-16(10-8-15)26-21(30)13-32-24-17(12-25)22(20-6-3-11-31-20)23-18(27-24)4-2-5-19(23)29/h3,6-11,22,27H,2,4-5,13H2,1H3,(H,26,30)
InChIKeyFFHZBSVRXGFKKB-UHFFFAOYSA-N
XLogP4.28
TPSA112.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

4-(furan-2-yl)-2-methyl-5-oxo-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 11646235
4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 21716122
N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 729147
2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
CID 660029
Ethyl 5-cyano-4-(furan-2-yl)-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
CID 661439
5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylpyridine-3-carboxamide
CID 920217
Isopropyl 2-((3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl)thio)acetate
CID 2833663
3-(4-Ethylanilino)-5-(2-furyl)cyclohex-2-en-1-one
CID 2887084
Ethyl 5-cyano-4-(2-furyl)-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}thio)-2-phenyl-1,4-dihydro-3-pyridinecarboxylate
CID 2941157
butyl 4-{[(2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino}benzoate
CID 6162538
5-cyano-6-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-4-(2-furanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 649782
2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 661618

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide (CID 659988) is N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide?
The InChIKey is FFHZBSVRXGFKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-14(28)15-7-9-16(10-8-15)26-21(30)13-32-24-17(12-25)22(20-6-3-11-31-20)23-18(27-24)4-2-5-19(23)29/h3,6-11,22,27H,2,4-5,13H2,1H3,(H,26,30).
What are the key properties of N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide has a molecular weight of 447.52 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 659988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).