N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide

C15H16FNO3S — CID 99946069

IUPACN-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@H](C)c2ccc(O)c(F)c2)s1
InChIInChI=1S/C15H16FNO3S/c1-9(10-3-5-13(18)12(16)7-10)17-15(19)14-6-4-11(21-14)8-20-2/h3-7,9,18H,8H2,1-2H3,(H,17,19)/t9-/m1/s1
InChIKeyJGFNPVMGMGMZPU-SECBINFHSA-N
MW309.36 g/mol
LogP3.23
Rot. Bonds5

About N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide

N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide (PubChem CID 99946069) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide
PubChem CID99946069
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@H](C)c2ccc(O)c(F)c2)s1
InChIInChI=1S/C15H16FNO3S/c1-9(10-3-5-13(18)12(16)7-10)17-15(19)14-6-4-11(21-14)8-20-2/h3-7,9,18H,8H2,1-2H3,(H,17,19)/t9-/m1/s1
InChIKeyJGFNPVMGMGMZPU-SECBINFHSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41096263
N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 42121834
N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95870855
2-fluoro-4-[(1R)-1-hydrazinylethyl]phenol
CID 124537732
N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74249303
N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 43034279
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
CID 29038942
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18112632
ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate
CID 107690318
5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 60674614
N-[1-(3,4-difluorophenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 134049414

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide (CID 99946069) is N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide is COCc1ccc(C(=O)N[C@H](C)c2ccc(O)c(F)c2)s1.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
The InChIKey is JGFNPVMGMGMZPU-SECBINFHSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-9(10-3-5-13(18)12(16)7-10)17-15(19)14-6-4-11(21-14)8-20-2/h3-7,9,18H,8H2,1-2H3,(H,17,19)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide?
N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide has a molecular weight of 309.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 99946069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).