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

C20H16ClNOS2 — CID 23602873

IUPAC7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCc1cccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)c1
InChIInChI=1S/C20H16ClNOS2/c1-2-12-4-3-5-15(8-12)22-20(23)18-9-13-11-24-17-10-14(21)6-7-16(17)19(13)25-18/h3-10H,2,11H2,1H3,(H,22,23)
InChIKeyDGKHODXJSHUQQL-UHFFFAOYSA-N
MW385.94 g/mol
LogP6.49
Rot. Bonds3

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

7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602873) has the molecular formula C20H16ClNOS2 and a molecular weight of 385.94 g/mol. Its IUPAC name is 7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602873
Molecular FormulaC20H16ClNOS2
Molecular Weight385.94 g/mol
Exact Mass385.04
IUPAC Name7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCc1cccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)c1
InChIInChI=1S/C20H16ClNOS2/c1-2-12-4-3-5-15(8-12)22-20(23)18-9-13-11-24-17-10-14(21)6-7-16(17)19(13)25-18/h3-10H,2,11H2,1H3,(H,22,23)
InChIKeyDGKHODXJSHUQQL-UHFFFAOYSA-N
XLogP6.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 20889036
7-chloro-N-(4-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602657
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602863
5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
CID 60606334
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
7-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602895
6-chloro-N-(3-chlorophenyl)-4-hydroxy-2H-thiochromene-3-carboxamide
CID 54690137
ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate
CID 141352577
7-chloro-N-(3-fluoro-4-methylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602611
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602873) is 7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is CCc1cccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)c1.
What is the InChIKey of 7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is DGKHODXJSHUQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNOS2/c1-2-12-4-3-5-15(8-12)22-20(23)18-9-13-11-24-17-10-14(21)6-7-16(17)19(13)25-18/h3-10H,2,11H2,1H3,(H,22,23).
What are the key properties of 7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 385.94 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-ethylphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).