2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide

C23H18ClN3O3S2 — CID 55496001

IUPAC2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C23H18ClN3O3S2/c24-22-11-10-21(31-22)20-14-18(17-4-1-2-5-19(17)26-20)23(28)25-15-6-8-16(9-7-15)27-12-3-13-32(27,29)30/h1-2,4-11,14H,3,12-13H2,(H,25,28)
InChIKeySLQYRLRUUBCSTJ-UHFFFAOYSA-N
MW484.00 g/mol
LogP5.41
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide (PubChem CID 55496001) has the molecular formula C23H18ClN3O3S2 and a molecular weight of 484.00 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide
PubChem CID55496001
Molecular FormulaC23H18ClN3O3S2
Molecular Weight484.00 g/mol
Exact Mass483.05
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C23H18ClN3O3S2/c24-22-11-10-21(31-22)20-14-18(17-4-1-2-5-19(17)26-20)23(28)25-15-6-8-16(9-7-15)27-12-3-13-32(27,29)30/h1-2,4-11,14H,3,12-13H2,(H,25,28)
InChIKeySLQYRLRUUBCSTJ-UHFFFAOYSA-N
XLogP5.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
CID 4155187
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796
2-(5-chlorothiophen-2-yl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1023167
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
2-(5-chlorothiophen-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4115953
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
2-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4183460
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 134030509
2-(5-chlorothiophen-2-yl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4152465
2-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)quinoline-4-carboxamide
CID 4198471

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide (CID 55496001) is 2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide?
The InChIKey is SLQYRLRUUBCSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S2/c24-22-11-10-21(31-22)20-14-18(17-4-1-2-5-19(17)26-20)23(28)25-15-6-8-16(9-7-15)27-12-3-13-32(27,29)30/h1-2,4-11,14H,3,12-13H2,(H,25,28).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 55496001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).