5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide

C16H18FNO3S — CID 111695059

IUPAC5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H18FNO3S/c1-18(9-13(19)10-21-2)16(20)15-8-7-14(22-15)11-3-5-12(17)6-4-11/h3-8,13,19H,9-10H2,1-2H3
InChIKeyFMMDLAKWMRIJLP-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.63
Rot. Bonds6

About 5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide

5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide (PubChem CID 111695059) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
PubChem CID111695059
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H18FNO3S/c1-18(9-13(19)10-21-2)16(20)15-8-7-14(22-15)11-3-5-12(17)6-4-11/h3-8,13,19H,9-10H2,1-2H3
InChIKeyFMMDLAKWMRIJLP-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695081
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18109835
5-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-carboxamide
CID 97247084
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994795
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
(2S)-1-[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-methoxypropan-2-ol
CID 100857627
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 54993258
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 71864033

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide (CID 111695059) is 5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide is COCC(O)CN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
The InChIKey is FMMDLAKWMRIJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-18(9-13(19)10-21-2)16(20)15-8-7-14(22-15)11-3-5-12(17)6-4-11/h3-8,13,19H,9-10H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 111695059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).