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

C16H18FNO4S2 — CID 21098643

IUPAC5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide
SMILESCOC(CN(C)S(=O)(=O)c1ccc(C(C)=O)s1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO4S2/c1-11(19)15-8-9-16(23-15)24(20,21)18(2)10-14(22-3)12-4-6-13(17)7-5-12/h4-9,14H,10H2,1-3H3
InChIKeyJOZCANVSNQOZCL-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.10
Rot. Bonds7

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

5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 21098643) has the molecular formula C16H18FNO4S2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide
PubChem CID21098643
Molecular FormulaC16H18FNO4S2
Molecular Weight371.46 g/mol
Exact Mass371.07
IUPAC Name5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide
SMILESCOC(CN(C)S(=O)(=O)c1ccc(C(C)=O)s1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO4S2/c1-11(19)15-8-9-16(23-15)24(20,21)18(2)10-14(22-3)12-4-6-13(17)7-5-12/h4-9,14H,10H2,1-3H3
InChIKeyJOZCANVSNQOZCL-UHFFFAOYSA-N
XLogP3.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide (CID 21098643) is 5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide is COC(CN(C)S(=O)(=O)c1ccc(C(C)=O)s1)c1ccc(F)cc1.
What is the InChIKey of 5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is JOZCANVSNQOZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S2/c1-11(19)15-8-9-16(23-15)24(20,21)18(2)10-14(22-3)12-4-6-13(17)7-5-12/h4-9,14H,10H2,1-3H3.
What are the key properties of 5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide?
5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(4-fluorophenyl)-2-methoxyethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 21098643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).