N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

C21H16N2OS2 — CID 1261690

IUPACN-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H16N2OS2/c1-25-19-10-5-4-9-17(19)23-21(24)15-13-18(20-11-6-12-26-20)22-16-8-3-2-7-14(15)16/h2-13H,1H3,(H,23,24)
InChIKeyXYDVYXTYKMYWLZ-UHFFFAOYSA-N
MW376.51 g/mol
LogP5.94
Rot. Bonds4

About N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 1261690) has the molecular formula C21H16N2OS2 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID1261690
Molecular FormulaC21H16N2OS2
Molecular Weight376.51 g/mol
Exact Mass376.07
IUPAC NameN-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H16N2OS2/c1-25-19-10-5-4-9-17(19)23-21(24)15-13-18(20-11-6-12-26-20)22-16-8-3-2-7-14(15)16/h2-13H,1H3,(H,23,24)
InChIKeyXYDVYXTYKMYWLZ-UHFFFAOYSA-N
XLogP5.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 18268811
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
methyl 4-fluoro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 46519301
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 7157916
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
CID 4154099

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 1261690) is N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is CSc1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is XYDVYXTYKMYWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS2/c1-25-19-10-5-4-9-17(19)23-21(24)15-13-18(20-11-6-12-26-20)22-16-8-3-2-7-14(15)16/h2-13H,1H3,(H,23,24).
What are the key properties of N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 376.51 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).