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

C22H20ClNOS2 — CID 23602832

IUPAC7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccccc1C
InChIInChI=1S/C22H20ClNOS2/c1-3-10-24(18-7-5-4-6-14(18)2)22(25)20-11-15-13-26-19-12-16(23)8-9-17(19)21(15)27-20/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyHURQSKKFWDSVSM-UHFFFAOYSA-N
MW414.00 g/mol
LogP7.04
Rot. Bonds4

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

7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602832) has the molecular formula C22H20ClNOS2 and a molecular weight of 414.00 g/mol. Its IUPAC name is 7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602832
Molecular FormulaC22H20ClNOS2
Molecular Weight414.00 g/mol
Exact Mass413.07
IUPAC Name7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccccc1C
InChIInChI=1S/C22H20ClNOS2/c1-3-10-24(18-7-5-4-6-14(18)2)22(25)20-11-15-13-26-19-12-16(23)8-9-17(19)21(15)27-20/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyHURQSKKFWDSVSM-UHFFFAOYSA-N
XLogP7.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.00
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602832) is 7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is CCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccccc1C.
What is the InChIKey of 7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is HURQSKKFWDSVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNOS2/c1-3-10-24(18-7-5-4-6-14(18)2)22(25)20-11-15-13-26-19-12-16(23)8-9-17(19)21(15)27-20/h4-9,11-12H,3,10,13H2,1-2H3.
What are the key properties of 7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 414.00 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-methylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).