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

C26H24N2OS — CID 3491620

IUPACN-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc(Sc3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C26H24N2OS/c1-18-7-11-20(12-8-18)15-16-27-26(29)23-17-25(28-24-6-4-3-5-22(23)24)30-21-13-9-19(2)10-14-21/h3-14,17H,15-16H2,1-2H3,(H,27,29)
InChIKeyLKORLMWNLAKRDC-UHFFFAOYSA-N
MW412.56 g/mol
LogP5.98
Rot. Bonds6

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

N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide (PubChem CID 3491620) has the molecular formula C26H24N2OS and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
PubChem CID3491620
Molecular FormulaC26H24N2OS
Molecular Weight412.56 g/mol
Exact Mass412.16
IUPAC NameN-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc(Sc3ccc(C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C26H24N2OS/c1-18-7-11-20(12-8-18)15-16-27-26(29)23-17-25(28-24-6-4-3-5-22(23)24)30-21-13-9-19(2)10-14-21/h3-14,17H,15-16H2,1-2H3,(H,27,29)
InChIKeyLKORLMWNLAKRDC-UHFFFAOYSA-N
XLogP5.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 4176110
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 4249991
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-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
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-[3-(N-ethylanilino)propyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123544
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
diethyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]azanium
CID 5069378

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide (CID 3491620) is N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide is Cc1ccc(CCNC(=O)c2cc(Sc3ccc(C)cc3)nc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide?
The InChIKey is LKORLMWNLAKRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2OS/c1-18-7-11-20(12-8-18)15-16-27-26(29)23-17-25(28-24-6-4-3-5-22(23)24)30-21-13-9-19(2)10-14-21/h3-14,17H,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide?
N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide is sourced from PubChem (CID 3491620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).