N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide

C15H16FNO2S — CID 47044022

IUPACN-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(NC(=O)CCCc2cccs2)cc1F
InChIInChI=1S/C15H16FNO2S/c1-19-14-8-7-11(10-13(14)16)17-15(18)6-2-4-12-5-3-9-20-12/h3,5,7-10H,2,4,6H2,1H3,(H,17,18)
InChIKeyPOSQUCWYHPWPIM-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.86
Rot. Bonds6

About N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide

N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide (PubChem CID 47044022) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
PubChem CID47044022
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(NC(=O)CCCc2cccs2)cc1F
InChIInChI=1S/C15H16FNO2S/c1-19-14-8-7-11(10-13(14)16)17-15(18)6-2-4-12-5-3-9-20-12/h3,5,7-10H,2,4,6H2,1H3,(H,17,18)
InChIKeyPOSQUCWYHPWPIM-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
CID 124607454
N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
CID 124607455
N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 27901791
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962789
N-[4-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55796754
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55967288
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 82862241
N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 38370894
3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
CID 43381050

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide (CID 47044022) is N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide is COc1ccc(NC(=O)CCCc2cccs2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide?
The InChIKey is POSQUCWYHPWPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-19-14-8-7-11(10-13(14)16)17-15(18)6-2-4-12-5-3-9-20-12/h3,5,7-10H,2,4,6H2,1H3,(H,17,18).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide?
N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide has a molecular weight of 293.36 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 47044022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).