N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

C16H17F3N2O4S2 — CID 31821739

IUPACN-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccccc2OC(F)(F)F)s1
InChIInChI=1S/C16H17F3N2O4S2/c1-11(22)20-9-13-7-8-15(26-13)27(23,24)21(2)10-12-5-3-4-6-14(12)25-16(17,18)19/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyZXOOSZMRLBORBM-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.10
Rot. Bonds7

About N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 31821739) has the molecular formula C16H17F3N2O4S2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID31821739
Molecular FormulaC16H17F3N2O4S2
Molecular Weight422.45 g/mol
Exact Mass422.06
IUPAC NameN-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccccc2OC(F)(F)F)s1
InChIInChI=1S/C16H17F3N2O4S2/c1-11(22)20-9-13-7-8-15(26-13)27(23,24)21(2)10-12-5-3-4-6-14(12)25-16(17,18)19/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyZXOOSZMRLBORBM-UHFFFAOYSA-N
XLogP3.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (CID 31821739) is N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccccc2OC(F)(F)F)s1.
What is the InChIKey of N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is ZXOOSZMRLBORBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4S2/c1-11(22)20-9-13-7-8-15(26-13)27(23,24)21(2)10-12-5-3-4-6-14(12)25-16(17,18)19/h3-8H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 422.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 31821739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).