N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide

C15H16FNO2S2 — CID 124607455

IUPACN-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
SMILESC[S@](=O)c1ccc(NC(=O)CCCc2cccs2)cc1F
InChIInChI=1S/C15H16FNO2S2/c1-21(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)/t21-/m0/s1
InChIKeyYJLOGMGILYZCAE-NRFANRHFSA-N
MW325.43 g/mol
LogP3.59
Rot. Bonds6

About N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide

N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 124607455) has the molecular formula C15H16FNO2S2 and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
PubChem CID124607455
Molecular FormulaC15H16FNO2S2
Molecular Weight325.43 g/mol
Exact Mass325.06
IUPAC NameN-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
SMILESC[S@](=O)c1ccc(NC(=O)CCCc2cccs2)cc1F
InChIInChI=1S/C15H16FNO2S2/c1-21(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)/t21-/m0/s1
InChIKeyYJLOGMGILYZCAE-NRFANRHFSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.59
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-methoxyphenyl)-4-thiophen-2-ylbutanamide
CID 47044022
N-(3-fluoro-4-methylsulfinylphenyl)propanamide
CID 154749149
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962789
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 82862241
N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide
CID 16552293
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 131916019

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide (CID 124607455) is N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide is C[S@](=O)c1ccc(NC(=O)CCCc2cccs2)cc1F.
What is the InChIKey of N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is YJLOGMGILYZCAE-NRFANRHFSA-N. The full InChI is InChI=1S/C15H16FNO2S2/c1-21(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)/t21-/m0/s1.
What are the key properties of N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide?
N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 325.43 g/mol, XLogP of 3.59, 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-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 124607455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).