4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide

C17H14FNO2S — CID 3678808

IUPAC4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide
SMILESCc1ccc2c(c1)C(=O)C(NC(=O)c1ccc(F)cc1)CS2
InChIInChI=1S/C17H14FNO2S/c1-10-2-7-15-13(8-10)16(20)14(9-22-15)19-17(21)11-3-5-12(18)6-4-11/h2-8,14H,9H2,1H3,(H,19,21)
InChIKeyMSCGYDHICVRUAK-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.22
Rot. Bonds2

About 4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide

4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide (PubChem CID 3678808) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide
PubChem CID3678808
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide
SMILESCc1ccc2c(c1)C(=O)C(NC(=O)c1ccc(F)cc1)CS2
InChIInChI=1S/C17H14FNO2S/c1-10-2-7-15-13(8-10)16(20)14(9-22-15)19-17(21)11-3-5-12(18)6-4-11/h2-8,14H,9H2,1H3,(H,19,21)
InChIKeyMSCGYDHICVRUAK-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide (CID 3678808) is 4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide is Cc1ccc2c(c1)C(=O)C(NC(=O)c1ccc(F)cc1)CS2.
What is the InChIKey of 4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
The InChIKey is MSCGYDHICVRUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-10-2-7-15-13(8-10)16(20)14(9-22-15)19-17(21)11-3-5-12(18)6-4-11/h2-8,14H,9H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide is sourced from PubChem (CID 3678808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).