N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide

C19H20FNO2S — CID 24543199

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NC2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C19H20FNO2S/c1-23-15-4-2-3-13(11-15)5-8-19(22)21-17-9-10-24-18-7-6-14(20)12-16(17)18/h2-4,6-7,11-12,17H,5,8-10H2,1H3,(H,21,22)
InChIKeyOZVAIJKHSVBTRS-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.12
Rot. Bonds5

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide (PubChem CID 24543199) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide
PubChem CID24543199
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NC2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C19H20FNO2S/c1-23-15-4-2-3-13(11-15)5-8-19(22)21-17-9-10-24-18-7-6-14(20)12-16(17)18/h2-4,6-7,11-12,17H,5,8-10H2,1H3,(H,21,22)
InChIKeyOZVAIJKHSVBTRS-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
CID 26468911
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468672
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468671
3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
CID 51886155
4-ethoxy-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 56684412
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylamino)butanamide
CID 54924628
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-propan-2-yloxyacetamide
CID 47411869
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 51247447
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 42952530
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 60837944
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 24552060

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide (CID 24543199) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NC2CCSc3ccc(F)cc32)c1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide?
The InChIKey is OZVAIJKHSVBTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-23-15-4-2-3-13(11-15)5-8-19(22)21-17-9-10-24-18-7-6-14(20)12-16(17)18/h2-4,6-7,11-12,17H,5,8-10H2,1H3,(H,21,22).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide has a molecular weight of 345.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 24543199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).