N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide

C19H15NOS2 — CID 46261423

IUPACN-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1ccccc1
InChIInChI=1S/C19H15NOS2/c1-20(14-7-3-2-4-8-14)19(21)17-11-13-12-22-16-10-6-5-9-15(16)18(13)23-17/h2-11H,12H2,1H3
InChIKeyVPLZFBNCLYMFDU-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.30
Rot. Bonds2

About N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide

N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 46261423) has the molecular formula C19H15NOS2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID46261423
Molecular FormulaC19H15NOS2
Molecular Weight337.47 g/mol
Exact Mass337.06
IUPAC NameN-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1ccccc1
InChIInChI=1S/C19H15NOS2/c1-20(14-7-3-2-4-8-14)19(21)17-11-13-12-22-16-10-6-5-9-15(16)18(13)23-17/h2-11H,12H2,1H3
InChIKeyVPLZFBNCLYMFDU-UHFFFAOYSA-N
XLogP5.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 46261423) is N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is CN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is VPLZFBNCLYMFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS2/c1-20(14-7-3-2-4-8-14)19(21)17-11-13-12-22-16-10-6-5-9-15(16)18(13)23-17/h2-11H,12H2,1H3.
What are the key properties of N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 46261423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).