N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide

C19H19ClF2N4O2S — CID 55969588

IUPACN-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)c3cccnc3SC(F)F)CC2)cc1Cl
InChIInChI=1S/C19H19ClF2N4O2S/c1-12-4-5-13(11-15(12)20)24-19(28)26-9-7-25(8-10-26)17(27)14-3-2-6-23-16(14)29-18(21)22/h2-6,11,18H,7-10H2,1H3,(H,24,28)
InChIKeySWUAYKYARVYVFX-UHFFFAOYSA-N
MW440.90 g/mol
LogP4.35
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide

N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide (PubChem CID 55969588) has the molecular formula C19H19ClF2N4O2S and a molecular weight of 440.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide
PubChem CID55969588
Molecular FormulaC19H19ClF2N4O2S
Molecular Weight440.90 g/mol
Exact Mass440.09
IUPAC NameN-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)c3cccnc3SC(F)F)CC2)cc1Cl
InChIInChI=1S/C19H19ClF2N4O2S/c1-12-4-5-13(11-15(12)20)24-19(28)26-9-7-25(8-10-26)17(27)14-3-2-6-23-16(14)29-18(21)22/h2-6,11,18H,7-10H2,1H3,(H,24,28)
InChIKeySWUAYKYARVYVFX-UHFFFAOYSA-N
XLogP4.35
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.90
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzo[f]quinoline-5-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 55970481
N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 60557510
2-(4-chlorophenyl)-1-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 78882201
(3,4-dichlorophenyl)-[1-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 55956000
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
ethyl 1-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperidine-4-carboxylate
CID 78806429
4-(3-bromoquinoline-6-carbonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 166336613
N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 78810204
N-(3-chloro-4-methylphenyl)-4-(3-ethoxypyrazin-2-yl)piperazine-1-carboxamide
CID 166227505
N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 155382799
N-(3-chloro-4-methylphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921239

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide (CID 55969588) is N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C(=O)c3cccnc3SC(F)F)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide?
The InChIKey is SWUAYKYARVYVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O2S/c1-12-4-5-13(11-15(12)20)24-19(28)26-9-7-25(8-10-26)17(27)14-3-2-6-23-16(14)29-18(21)22/h2-6,11,18H,7-10H2,1H3,(H,24,28).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide has a molecular weight of 440.90 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 55969588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).