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

C20H15Cl2NOS2 — CID 23602831

IUPAC7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCc1ccc(Cl)cc1N(C)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C20H15Cl2NOS2/c1-11-3-4-13(21)8-16(11)23(2)20(24)18-7-12-10-25-17-9-14(22)5-6-15(17)19(12)26-18/h3-9H,10H2,1-2H3
InChIKeyZFPPNROQMGBZEA-UHFFFAOYSA-N
MW420.39 g/mol
LogP6.91
Rot. Bonds2

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

7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602831) has the molecular formula C20H15Cl2NOS2 and a molecular weight of 420.39 g/mol. Its IUPAC name is 7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602831
Molecular FormulaC20H15Cl2NOS2
Molecular Weight420.39 g/mol
Exact Mass419.00
IUPAC Name7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCc1ccc(Cl)cc1N(C)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C20H15Cl2NOS2/c1-11-3-4-13(21)8-16(11)23(2)20(24)18-7-12-10-25-17-9-14(22)5-6-15(17)19(12)26-18/h3-9H,10H2,1-2H3
InChIKeyZFPPNROQMGBZEA-UHFFFAOYSA-N
XLogP6.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.39
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602831) is 7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is Cc1ccc(Cl)cc1N(C)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2.
What is the InChIKey of 7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is ZFPPNROQMGBZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NOS2/c1-11-3-4-13(21)8-16(11)23(2)20(24)18-7-12-10-25-17-9-14(22)5-6-15(17)19(12)26-18/h3-9H,10H2,1-2H3.
What are the key properties of 7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).