4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide

C19H22FNO2S — CID 94669644

IUPAC4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)s1
InChIInChI=1S/C19H22FNO2S/c1-13-6-7-17(24-13)14(2)21-18(22)19(8-10-23-11-9-19)15-4-3-5-16(20)12-15/h3-7,12,14H,8-11H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyDABLQQYUHIVVNW-AWEZNQCLSA-N
MW347.46 g/mol
LogP4.12
Rot. Bonds4

About 4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide (PubChem CID 94669644) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide
PubChem CID94669644
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)s1
InChIInChI=1S/C19H22FNO2S/c1-13-6-7-17(24-13)14(2)21-18(22)19(8-10-23-11-9-19)15-4-3-5-16(20)12-15/h3-7,12,14H,8-11H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyDABLQQYUHIVVNW-AWEZNQCLSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
CID 56807132
4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 92614078
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46978008
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
CID 92582737
4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095422
3-(3-fluorophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 86960755
N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide
CID 127266166
4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614110
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 120597788

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide (CID 94669644) is 4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide is Cc1ccc([C@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)s1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide?
The InChIKey is DABLQQYUHIVVNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-13-6-7-17(24-13)14(2)21-18(22)19(8-10-23-11-9-19)15-4-3-5-16(20)12-15/h3-7,12,14H,8-11H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 94669644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).