N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide

C19H13F2NOS2 — CID 3575107

IUPACN-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCc1ccc2c(c1)-c1sc(C(=O)Nc3ccc(F)cc3F)cc1CS2
InChIInChI=1S/C19H13F2NOS2/c1-10-2-5-16-13(6-10)18-11(9-24-16)7-17(25-18)19(23)22-15-4-3-12(20)8-14(15)21/h2-8H,9H2,1H3,(H,22,23)
InChIKeyZEHUGNJQLLHEKG-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.86
Rot. Bonds2

About N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide

N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 3575107) has the molecular formula C19H13F2NOS2 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID3575107
Molecular FormulaC19H13F2NOS2
Molecular Weight373.45 g/mol
Exact Mass373.04
IUPAC NameN-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCc1ccc2c(c1)-c1sc(C(=O)Nc3ccc(F)cc3F)cc1CS2
InChIInChI=1S/C19H13F2NOS2/c1-10-2-5-16-13(6-10)18-11(9-24-16)7-17(25-18)19(23)22-15-4-3-12(20)8-14(15)21/h2-8H,9H2,1H3,(H,22,23)
InChIKeyZEHUGNJQLLHEKG-UHFFFAOYSA-N
XLogP5.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
CID 137369706
8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 137369719
N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 26522788
N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 20889036
7-chloro-N-(5-chloro-2-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602775
7-chloro-N-(2-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602879
N-(2,4-difluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9209398
8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 142512349
N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 6623288
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
N-(2,4-dimethylphenyl)-7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 7947191

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 3575107) is N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is Cc1ccc2c(c1)-c1sc(C(=O)Nc3ccc(F)cc3F)cc1CS2.
What is the InChIKey of N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is ZEHUGNJQLLHEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NOS2/c1-10-2-5-16-13(6-10)18-11(9-24-16)7-17(25-18)19(23)22-15-4-3-12(20)8-14(15)21/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 3575107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).