2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C15H14ClF3N2O4S2 — CID 55474538

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClF3N2O4S2/c1-21(27(23,24)14-7-6-12(16)26-14)8-13(22)20-10-2-4-11(5-3-10)25-9-15(17,18)19/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyWHTFQXRCUFWEDV-UHFFFAOYSA-N
MW442.87 g/mol
LogP3.60
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 55474538) has the molecular formula C15H14ClF3N2O4S2 and a molecular weight of 442.87 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID55474538
Molecular FormulaC15H14ClF3N2O4S2
Molecular Weight442.87 g/mol
Exact Mass442.00
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClF3N2O4S2/c1-21(27(23,24)14-7-6-12(16)26-14)8-13(22)20-10-2-4-11(5-3-10)25-9-15(17,18)19/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyWHTFQXRCUFWEDV-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 55474538) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is CN(CC(=O)Nc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is WHTFQXRCUFWEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O4S2/c1-21(27(23,24)14-7-6-12(16)26-14)8-13(22)20-10-2-4-11(5-3-10)25-9-15(17,18)19/h2-7H,8-9H2,1H3,(H,20,22).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 442.87 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 55474538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).