(4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide

C20H16Cl2N4O3S — CID 6985245

IUPAC(4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide
SMILESCC1=NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H](c2ccco2)C1C(N)=O
InChIInChI=1S/C20H16Cl2N4O3S/c1-10-17(19(24)28)18(15-3-2-6-29-15)12(8-23)20(25-10)30-9-16(27)26-11-4-5-13(21)14(22)7-11/h2-7,17-18H,9H2,1H3,(H2,24,28)(H,26,27)/t17?,18-/m1/s1
InChIKeyIIKBVWJLSOTNBB-QRWMCTBCSA-N
MW463.35 g/mol
LogP4.35
Rot. Bonds6

About (4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide

(4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide (PubChem CID 6985245) has the molecular formula C20H16Cl2N4O3S and a molecular weight of 463.35 g/mol. Its IUPAC name is (4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name(4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide
PubChem CID6985245
Molecular FormulaC20H16Cl2N4O3S
Molecular Weight463.35 g/mol
Exact Mass462.03
IUPAC Name(4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide
SMILESCC1=NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H](c2ccco2)C1C(N)=O
InChIInChI=1S/C20H16Cl2N4O3S/c1-10-17(19(24)28)18(15-3-2-6-29-15)12(8-23)20(25-10)30-9-16(27)26-11-4-5-13(21)14(22)7-11/h2-7,17-18H,9H2,1H3,(H2,24,28)(H,26,27)/t17?,18-/m1/s1
InChIKeyIIKBVWJLSOTNBB-QRWMCTBCSA-N
XLogP4.35
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4S)-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-3-carboxamide
CID 7853618
6-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
CID 4601220
2-[[(4S)-5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 126145949
N-(3-chloro-4-cyanophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7416407
2-[[(4R)-5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1080546
N-(3-chlorophenyl)-2-[[(4R)-5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 1080550
2-[[(4R)-3-cyano-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 51516204
6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxamide
CID 3571308
(4R)-6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
CID 51451773
(4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 1396967
5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
CID 23876772
prop-2-enyl 6-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
CID 3267504

Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide?
The IUPAC name of (4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide (CID 6985245) is (4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for (4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide?
The canonical SMILES for (4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide is CC1=NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H](c2ccco2)C1C(N)=O.
What is the InChIKey of (4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide?
The InChIKey is IIKBVWJLSOTNBB-QRWMCTBCSA-N. The full InChI is InChI=1S/C20H16Cl2N4O3S/c1-10-17(19(24)28)18(15-3-2-6-29-15)12(8-23)20(25-10)30-9-16(27)26-11-4-5-13(21)14(22)7-11/h2-7,17-18H,9H2,1H3,(H2,24,28)(H,26,27)/t17?,18-/m1/s1.
What are the key properties of (4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide?
(4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide has a molecular weight of 463.35 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyano-6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 6985245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).