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

C24H24ClNOS2 — CID 23602863

IUPAC7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H24ClNOS2/c1-4-11-26(19-8-5-16(6-9-19)15(2)3)24(27)22-12-17-14-28-21-13-18(25)7-10-20(21)23(17)29-22/h5-10,12-13,15H,4,11,14H2,1-3H3
InChIKeyQPPSZLUBQQAPQJ-UHFFFAOYSA-N
MW442.05 g/mol
LogP7.85
Rot. Bonds5

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

7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602863) has the molecular formula C24H24ClNOS2 and a molecular weight of 442.05 g/mol. Its IUPAC name is 7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602863
Molecular FormulaC24H24ClNOS2
Molecular Weight442.05 g/mol
Exact Mass441.10
IUPAC Name7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H24ClNOS2/c1-4-11-26(19-8-5-16(6-9-19)15(2)3)24(27)22-12-17-14-28-21-13-18(25)7-10-20(21)23(17)29-22/h5-10,12-13,15H,4,11,14H2,1-3H3
InChIKeyQPPSZLUBQQAPQJ-UHFFFAOYSA-N
XLogP7.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.05
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602863) is 7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is CCCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccc(C(C)C)cc1.
What is the InChIKey of 7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is QPPSZLUBQQAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNOS2/c1-4-11-26(19-8-5-16(6-9-19)15(2)3)24(27)22-12-17-14-28-21-13-18(25)7-10-20(21)23(17)29-22/h5-10,12-13,15H,4,11,14H2,1-3H3.
What are the key properties of 7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 442.05 g/mol, XLogP of 7.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).