N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide

C23H16Cl2N2OS — CID 4244425

IUPACN-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(Sc2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C23H16Cl2N2OS/c24-18-9-3-1-7-15(18)14-26-23(28)17-13-22(27-20-11-5-2-8-16(17)20)29-21-12-6-4-10-19(21)25/h1-13H,14H2,(H,26,28)
InChIKeyZVMFSMIIWZPLOS-UHFFFAOYSA-N
MW439.37 g/mol
LogP6.62
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide (PubChem CID 4244425) has the molecular formula C23H16Cl2N2OS and a molecular weight of 439.37 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide
PubChem CID4244425
Molecular FormulaC23H16Cl2N2OS
Molecular Weight439.37 g/mol
Exact Mass438.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(Sc2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C23H16Cl2N2OS/c24-18-9-3-1-7-15(18)14-26-23(28)17-13-22(27-20-11-5-2-8-16(17)20)29-21-12-6-4-10-19(21)25/h1-13H,14H2,(H,26,28)
InChIKeyZVMFSMIIWZPLOS-UHFFFAOYSA-N
XLogP6.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.37
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(2,2-dimethoxyethyl)quinoline-4-carboxamide
CID 4249988
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 4249991
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216223
N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
CID 50842551
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 4182262
2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide
CID 5218638
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 4176110
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 3388555

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide (CID 4244425) is N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide is O=C(NCc1ccccc1Cl)c1cc(Sc2ccccc2Cl)nc2ccccc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide?
The InChIKey is ZVMFSMIIWZPLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2OS/c24-18-9-3-1-7-15(18)14-26-23(28)17-13-22(27-20-11-5-2-8-16(17)20)29-21-12-6-4-10-19(21)25/h1-13H,14H2,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide has a molecular weight of 439.37 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide is sourced from PubChem (CID 4244425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).