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

C18H11Cl2NOS2 — CID 23602879

IUPAC7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C18H11Cl2NOS2/c19-11-5-6-12-15(8-11)23-9-10-7-16(24-17(10)12)18(22)21-14-4-2-1-3-13(14)20/h1-8H,9H2,(H,21,22)
InChIKeyVZPRPTSPJKNFMG-UHFFFAOYSA-N
MW392.33 g/mol
LogP6.58
Rot. Bonds2

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

7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602879) has the molecular formula C18H11Cl2NOS2 and a molecular weight of 392.33 g/mol. Its IUPAC name is 7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602879
Molecular FormulaC18H11Cl2NOS2
Molecular Weight392.33 g/mol
Exact Mass390.97
IUPAC Name7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C18H11Cl2NOS2/c19-11-5-6-12-15(8-11)23-9-10-7-16(24-17(10)12)18(22)21-14-4-2-1-3-13(14)20/h1-8H,9H2,(H,21,22)
InChIKeyVZPRPTSPJKNFMG-UHFFFAOYSA-N
XLogP6.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602775
N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 20889036
7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602873
(7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone
CID 23602784
(7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 23602788
7-chloro-N-(5-chloro-2-methylphenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602831
N-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7947687
N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 6623288
methyl 2-[(7-chloro-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)amino]benzoate
CID 23602632
N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 3575107
N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952
7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602895

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602879) is 7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is O=C(Nc1ccccc1Cl)c1cc2c(s1)-c1ccc(Cl)cc1SC2.
What is the InChIKey of 7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is VZPRPTSPJKNFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NOS2/c19-11-5-6-12-15(8-11)23-9-10-7-16(24-17(10)12)18(22)21-14-4-2-1-3-13(14)20/h1-8H,9H2,(H,21,22).
What are the key properties of 7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 392.33 g/mol, XLogP of 6.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).