N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide

C19H14FNO2S — CID 26522788

IUPACN-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c(F)c1
InChIInChI=1S/C19H14FNO2S/c1-11-6-7-15(14(20)8-11)21-19(22)17-9-12-10-23-16-5-3-2-4-13(16)18(12)24-17/h2-9H,10H2,1H3,(H,21,22)
InChIKeyGSFRQBHONOQDIN-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.01
Rot. Bonds2

About N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide

N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 26522788) has the molecular formula C19H14FNO2S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID26522788
Molecular FormulaC19H14FNO2S
Molecular Weight339.39 g/mol
Exact Mass339.07
IUPAC NameN-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c(F)c1
InChIInChI=1S/C19H14FNO2S/c1-11-6-7-15(14(20)8-11)21-19(22)17-9-12-10-23-16-5-3-2-4-13(16)18(12)24-17/h2-9H,10H2,1H3,(H,21,22)
InChIKeyGSFRQBHONOQDIN-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134019153
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55964946
N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 51154942
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 32624170
N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599
N'-(4,6-dimethylpyrimidin-2-yl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 26120032
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 31725309
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55332902
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 3575107
N-(3-chloro-4-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 7473029

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 26522788) is N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is Cc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is GSFRQBHONOQDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2S/c1-11-6-7-15(14(20)8-11)21-19(22)17-9-12-10-23-16-5-3-2-4-13(16)18(12)24-17/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 26522788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).