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

C19H13Cl2NOS2 — CID 6623652

IUPAC7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1cccc(Cl)c1
InChIInChI=1S/C19H13Cl2NOS2/c1-22(14-4-2-3-12(20)8-14)19(23)17-7-11-10-24-16-9-13(21)5-6-15(16)18(11)25-17/h2-9H,10H2,1H3
InChIKeyFENNODXJFVBRAB-UHFFFAOYSA-N
MW406.36 g/mol
LogP6.60
Rot. Bonds2

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

7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 6623652) has the molecular formula C19H13Cl2NOS2 and a molecular weight of 406.36 g/mol. Its IUPAC name is 7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID6623652
Molecular FormulaC19H13Cl2NOS2
Molecular Weight406.36 g/mol
Exact Mass404.98
IUPAC Name7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1cccc(Cl)c1
InChIInChI=1S/C19H13Cl2NOS2/c1-22(14-4-2-3-12(20)8-14)19(23)17-7-11-10-24-16-9-13(21)5-6-15(16)18(11)25-17/h2-9H,10H2,1H3
InChIKeyFENNODXJFVBRAB-UHFFFAOYSA-N
XLogP6.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.36
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 6623652) is 7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is CN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1cccc(Cl)c1.
What is the InChIKey of 7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is FENNODXJFVBRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NOS2/c1-22(14-4-2-3-12(20)8-14)19(23)17-7-11-10-24-16-9-13(21)5-6-15(16)18(11)25-17/h2-9H,10H2,1H3.
What are the key properties of 7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-chlorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 6623652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).