5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide

C15H16FNO4S2 — CID 90875860

IUPAC5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide
SMILESCC(=O)c1cc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)cs1
InChIInChI=1S/C15H16FNO4S2/c1-10(18)15-7-13(9-22-15)23(20,21)17(2)8-14(19)11-3-5-12(16)6-4-11/h3-7,9,14,19H,8H2,1-2H3
InChIKeyQYLPNKZZTZTNKN-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.44
Rot. Bonds6

About 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide

5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide (PubChem CID 90875860) has the molecular formula C15H16FNO4S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide
PubChem CID90875860
Molecular FormulaC15H16FNO4S2
Molecular Weight357.43 g/mol
Exact Mass357.05
IUPAC Name5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide
SMILESCC(=O)c1cc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)cs1
InChIInChI=1S/C15H16FNO4S2/c1-10(18)15-7-13(9-22-15)23(20,21)17(2)8-14(19)11-3-5-12(16)6-4-11/h3-7,9,14,19H,8H2,1-2H3
InChIKeyQYLPNKZZTZTNKN-UHFFFAOYSA-N
XLogP2.44
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-(2-hydroxy-2-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71782472
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylthiophene-2-sulfonamide
CID 3704449
2-Bromo-7-oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxy-ethyl]-methyl-amide
CID 21098578
3-[[2-(4-Fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
CID 21098590
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide
CID 21098591
3-[2-(4-Fluorophenyl)ethyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 21098600
5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide
CID 21098642
5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide
CID 21098643
N-[2-(4-fluorophenyl)-2-(methoxymethoxy)ethyl]-5-formyl-N-methylthiophene-3-sulfonamide
CID 21098657
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide
CID 21098659
6-Methyl-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-sulfonic acid[2-(4-fluorophenyl)2-hydroxyethyl]-methyl-amide
CID 21098669
7-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(2,4-difluorophenyl)-2-hydroxy-ethyl]-amide
CID 21098677

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide (CID 90875860) is 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide is CC(=O)c1cc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)cs1.
What is the InChIKey of 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is QYLPNKZZTZTNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S2/c1-10(18)15-7-13(9-22-15)23(20,21)17(2)8-14(19)11-3-5-12(16)6-4-11/h3-7,9,14,19H,8H2,1-2H3.
What are the key properties of 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide has a molecular weight of 357.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 90875860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).