7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide

C20H16ClNO4S2 — CID 23602693

IUPAC7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)cc1
InChIInChI=1S/C20H16ClNO4S2/c1-26-15-5-2-12(3-6-15)10-22-20(23)17-8-13-11-28(24,25)18-9-14(21)4-7-16(18)19(13)27-17/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyVQMAFHQEIPBHIG-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.29
Rot. Bonds4

About 7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide

7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602693) has the molecular formula C20H16ClNO4S2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602693
Molecular FormulaC20H16ClNO4S2
Molecular Weight433.94 g/mol
Exact Mass433.02
IUPAC Name7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)cc1
InChIInChI=1S/C20H16ClNO4S2/c1-26-15-5-2-12(3-6-15)10-22-20(23)17-8-13-11-28(24,25)18-9-14(21)4-7-16(18)19(13)27-17/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyVQMAFHQEIPBHIG-UHFFFAOYSA-N
XLogP4.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide with MolForge

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Related Compounds

7-bromo-N-[(4-methylphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 138805635
ethyl 2-[(7-chloro-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)amino]propanoate
CID 23602745
7-chloro-N-(3-fluoro-4-methylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602611
5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602416
7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602609
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62173121
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
7-chloro-5,5-dioxo-N-phenyl-N-prop-2-enyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602689
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602693) is 7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is COc1ccc(CNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)cc1.
What is the InChIKey of 7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is VQMAFHQEIPBHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4S2/c1-26-15-5-2-12(3-6-15)10-22-20(23)17-8-13-11-28(24,25)18-9-14(21)4-7-16(18)19(13)27-17/h2-9H,10-11H2,1H3,(H,22,23).
What are the key properties of 7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 433.94 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).