N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide

C18H12ClNO3S2 — CID 6625285

IUPACN-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C18H12ClNO3S2/c19-13-6-2-3-7-14(13)20-18(21)15-9-11-10-25(22,23)16-8-4-1-5-12(16)17(11)24-15/h1-9H,10H2,(H,20,21)
InChIKeyWLNDUOOVEPHNFU-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.61
Rot. Bonds2

About N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide

N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 6625285) has the molecular formula C18H12ClNO3S2 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID6625285
Molecular FormulaC18H12ClNO3S2
Molecular Weight389.89 g/mol
Exact Mass388.99
IUPAC NameN-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C18H12ClNO3S2/c19-13-6-2-3-7-14(13)20-18(21)15-9-11-10-25(22,23)16-8-4-1-5-12(16)17(11)24-15/h1-9H,10H2,(H,20,21)
InChIKeyWLNDUOOVEPHNFU-UHFFFAOYSA-N
XLogP4.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 6625285) is N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is O=C(Nc1ccccc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2.
What is the InChIKey of N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is WLNDUOOVEPHNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO3S2/c19-13-6-2-3-7-14(13)20-18(21)15-9-11-10-25(22,23)16-8-4-1-5-12(16)17(11)24-15/h1-9H,10H2,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 6625285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).