(3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide

C15H16FNO3S2 — CID 95326957

IUPAC(3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C[C@H](C)c2ccccc2F)s1
InChIInChI=1S/C15H16FNO3S2/c1-10(12-5-3-4-6-13(12)16)9-14(18)17-22(19,20)15-8-7-11(2)21-15/h3-8,10H,9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyFEIRLMHLALPSAS-JTQLQIEISA-N
MW341.43 g/mol
LogP3.19
Rot. Bonds5

About (3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide

(3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide (PubChem CID 95326957) has the molecular formula C15H16FNO3S2 and a molecular weight of 341.43 g/mol. Its IUPAC name is (3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide.

Molecular Properties

Compound Name(3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide
PubChem CID95326957
Molecular FormulaC15H16FNO3S2
Molecular Weight341.43 g/mol
Exact Mass341.06
IUPAC Name(3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C[C@H](C)c2ccccc2F)s1
InChIInChI=1S/C15H16FNO3S2/c1-10(12-5-3-4-6-13(12)16)9-14(18)17-22(19,20)15-8-7-11(2)21-15/h3-8,10H,9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyFEIRLMHLALPSAS-JTQLQIEISA-N
XLogP3.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-2-sulfonic acid [3-(3''-phenethylsulfanylmethyl-biphenyl-2-yl)-propionyl]-amide
CID 10118889
N-Hydroxy-2-methyl-3-phenyl-2-(thiophene-2-sulfonyl)-propionamide
CID 10914350
Thiophene-2-sulfonic acid [3-(3''-methylsulfanyl-biphenyl-2-yl)-propionyl]-amide
CID 21362867
3-[2-[4-(2-phenylethylsulfanylmethyl)phenyl]phenyl]-N-thiophen-2-ylsulfonylpropanamide
CID 21362900
Thiophene-2-sulfonic acid [4-(4''-phenethylsulfanylmethyl-biphenyl-2-yl)-butyryl]-amide
CID 21362912
N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide
CID 90684272
Thiophene-2-sulfonic acid [3-(2''-phenethylsulfanylmethyl-biphenyl-2-yl)-propionyl]-amide
CID 44320433
N-butyloxycarbonyl-3-[4-(carbamoylmethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
CID 44437998
Thiophene-2-sulfonic acid [3-(3''-methanesulfonyl-biphenyl-2-yl)-propionyl]-amide
CID 21362869
4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide
CID 71855389
3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide
CID 53604802
N-(4-fluorophenyl)sulfonyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 53616491

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide?
The IUPAC name of (3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide (CID 95326957) is (3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide.
What is the SMILES notation for (3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide?
The canonical SMILES for (3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide is Cc1ccc(S(=O)(=O)NC(=O)C[C@H](C)c2ccccc2F)s1.
What is the InChIKey of (3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide?
The InChIKey is FEIRLMHLALPSAS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FNO3S2/c1-10(12-5-3-4-6-13(12)16)9-14(18)17-22(19,20)15-8-7-11(2)21-15/h3-8,10H,9H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide?
(3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide has a molecular weight of 341.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide is sourced from PubChem (CID 95326957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).