N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide

C25H21ClN2OS — CID 4176110

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
SMILESCc1ccc(Sc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H21ClN2OS/c1-17-6-12-20(13-7-17)30-24-16-22(21-4-2-3-5-23(21)28-24)25(29)27-15-14-18-8-10-19(26)11-9-18/h2-13,16H,14-15H2,1H3,(H,27,29)
InChIKeyZRTLVMWHAMVHAV-UHFFFAOYSA-N
MW432.98 g/mol
LogP6.32
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide (PubChem CID 4176110) has the molecular formula C25H21ClN2OS and a molecular weight of 432.98 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
PubChem CID4176110
Molecular FormulaC25H21ClN2OS
Molecular Weight432.98 g/mol
Exact Mass432.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
SMILESCc1ccc(Sc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H21ClN2OS/c1-17-6-12-20(13-7-17)30-24-16-22(21-4-2-3-5-23(21)28-24)25(29)27-15-14-18-8-10-19(26)11-9-18/h2-13,16H,14-15H2,1H3,(H,27,29)
InChIKeyZRTLVMWHAMVHAV-UHFFFAOYSA-N
XLogP6.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.98
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 3491620
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 4249991
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 4182262
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 4182269
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]quinoline-4-carboxamide
CID 4182268
N-butyl-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123222
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 3579691
2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 5123542
N-[3-[bis(2-methylpropyl)amino]propyl]-2-(4-chlorophenyl)sulfanylquinoline-4-carboxamide
CID 4077347
2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)quinoline-4-carboxamide
CID 4255716
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-butyl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide
CID 4053177

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide (CID 4176110) is N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide is Cc1ccc(Sc2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide?
The InChIKey is ZRTLVMWHAMVHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2OS/c1-17-6-12-20(13-7-17)30-24-16-22(21-4-2-3-5-23(21)28-24)25(29)27-15-14-18-8-10-19(26)11-9-18/h2-13,16H,14-15H2,1H3,(H,27,29).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide has a molecular weight of 432.98 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide is sourced from PubChem (CID 4176110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).