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

C19H13Cl2NO2S2 — CID 23602775

IUPAC7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C19H13Cl2NO2S2/c1-24-15-5-3-11(20)7-14(15)22-19(23)17-6-10-9-25-16-8-12(21)2-4-13(16)18(10)26-17/h2-8H,9H2,1H3,(H,22,23)
InChIKeyGHTZSJQBPHRLQE-UHFFFAOYSA-N
MW422.36 g/mol
LogP6.59
Rot. Bonds3

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

7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602775) has the molecular formula C19H13Cl2NO2S2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602775
Molecular FormulaC19H13Cl2NO2S2
Molecular Weight422.36 g/mol
Exact Mass420.98
IUPAC Name7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C19H13Cl2NO2S2/c1-24-15-5-3-11(20)7-14(15)22-19(23)17-6-10-9-25-16-8-12(21)2-4-13(16)18(10)26-17/h2-8H,9H2,1H3,(H,22,23)
InChIKeyGHTZSJQBPHRLQE-UHFFFAOYSA-N
XLogP6.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.36
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602879
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
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846561
3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225752
N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 3575107
N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 55704407
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 51154942
methyl 2-[(7-chloro-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carbonyl)amino]benzoate
CID 23602632

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602775) is 7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2.
What is the InChIKey of 7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is GHTZSJQBPHRLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO2S2/c1-24-15-5-3-11(20)7-14(15)22-19(23)17-6-10-9-25-16-8-12(21)2-4-13(16)18(10)26-17/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of 7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 422.36 g/mol, XLogP of 6.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).