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

C18H12ClNOS2 — CID 20889036

IUPACN-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1SC2
InChIInChI=1S/C18H12ClNOS2/c19-12-5-7-13(8-6-12)20-18(21)16-9-11-10-22-15-4-2-1-3-14(15)17(11)23-16/h1-9H,10H2,(H,20,21)
InChIKeyHGHHVWSPUSAAPH-UHFFFAOYSA-N
MW357.89 g/mol
LogP5.93
Rot. Bonds2

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

N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 20889036) has the molecular formula C18H12ClNOS2 and a molecular weight of 357.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID20889036
Molecular FormulaC18H12ClNOS2
Molecular Weight357.89 g/mol
Exact Mass357.00
IUPAC NameN-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1SC2
InChIInChI=1S/C18H12ClNOS2/c19-12-5-7-13(8-6-12)20-18(21)16-9-11-10-22-15-4-2-1-3-14(15)17(11)23-16/h1-9H,10H2,(H,20,21)
InChIKeyHGHHVWSPUSAAPH-UHFFFAOYSA-N
XLogP5.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.89
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 20889036) is N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1SC2.
What is the InChIKey of N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is HGHHVWSPUSAAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNOS2/c19-12-5-7-13(8-6-12)20-18(21)16-9-11-10-22-15-4-2-1-3-14(15)17(11)23-16/h1-9H,10H2,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 357.89 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 20889036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).