3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide

C19H16FNO3S — CID 24509236

IUPAC3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCSc3ccccc3F)ccc12
InChIInChI=1S/C19H16FNO3S/c1-12-10-19(23)24-16-11-13(6-7-14(12)16)21-18(22)8-9-25-17-5-3-2-4-15(17)20/h2-7,10-11H,8-9H2,1H3,(H,21,22)
InChIKeyZZXHKFRNOWSQGD-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.36
Rot. Bonds5

About 3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide

3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide (PubChem CID 24509236) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
PubChem CID24509236
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCSc3ccccc3F)ccc12
InChIInChI=1S/C19H16FNO3S/c1-12-10-19(23)24-16-11-13(6-7-14(12)16)21-18(22)8-9-25-17-5-3-2-4-15(17)20/h2-7,10-11H,8-9H2,1H3,(H,21,22)
InChIKeyZZXHKFRNOWSQGD-UHFFFAOYSA-N
XLogP4.36
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide (CID 24509236) is 3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide is Cc1cc(=O)oc2cc(NC(=O)CCSc3ccccc3F)ccc12.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide?
The InChIKey is ZZXHKFRNOWSQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-12-10-19(23)24-16-11-13(6-7-14(12)16)21-18(22)8-9-25-17-5-3-2-4-15(17)20/h2-7,10-11H,8-9H2,1H3,(H,21,22).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide?
3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide has a molecular weight of 357.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide is sourced from PubChem (CID 24509236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).