N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide

C17H20FNO4S2 — CID 21098659

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide
SMILESCC(C)C(=O)c1cc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)cs1
InChIInChI=1S/C17H20FNO4S2/c1-11(2)17(21)16-8-14(10-24-16)25(22,23)19(3)9-15(20)12-4-6-13(18)7-5-12/h4-8,10-11,15,20H,9H2,1-3H3
InChIKeyFEGGBXSMQLPMHI-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide (PubChem CID 21098659) has the molecular formula C17H20FNO4S2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide
PubChem CID21098659
Molecular FormulaC17H20FNO4S2
Molecular Weight385.48 g/mol
Exact Mass385.08
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide
SMILESCC(C)C(=O)c1cc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)cs1
InChIInChI=1S/C17H20FNO4S2/c1-11(2)17(21)16-8-14(10-24-16)25(22,23)19(3)9-15(20)12-4-6-13(18)7-5-12/h4-8,10-11,15,20H,9H2,1-3H3
InChIKeyFEGGBXSMQLPMHI-UHFFFAOYSA-N
XLogP3.08
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide (CID 21098659) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide is CC(C)C(=O)c1cc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)cs1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide?
The InChIKey is FEGGBXSMQLPMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S2/c1-11(2)17(21)16-8-14(10-24-16)25(22,23)19(3)9-15(20)12-4-6-13(18)7-5-12/h4-8,10-11,15,20H,9H2,1-3H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide has a molecular weight of 385.48 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methyl-5-(2-methylpropanoyl)thiophene-3-sulfonamide is sourced from PubChem (CID 21098659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).