N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide

C15H16F2N2O4S2 — CID 39794772

IUPACN-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C15H16F2N2O4S2/c1-10(20)18-9-13-6-7-14(24-13)25(21,22)19-8-11-2-4-12(5-3-11)23-15(16)17/h2-7,15,19H,8-9H2,1H3,(H,18,20)
InChIKeyXBDUTKNPKDSGHQ-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.46
Rot. Bonds8

About N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 39794772) has the molecular formula C15H16F2N2O4S2 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID39794772
Molecular FormulaC15H16F2N2O4S2
Molecular Weight390.43 g/mol
Exact Mass390.05
IUPAC NameN-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C15H16F2N2O4S2/c1-10(20)18-9-13-6-7-14(24-13)25(21,22)19-8-11-2-4-12(5-3-11)23-15(16)17/h2-7,15,19H,8-9H2,1H3,(H,18,20)
InChIKeyXBDUTKNPKDSGHQ-UHFFFAOYSA-N
XLogP2.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide (CID 39794772) is N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(OC(F)F)cc2)s1.
What is the InChIKey of N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is XBDUTKNPKDSGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4S2/c1-10(20)18-9-13-6-7-14(24-13)25(21,22)19-8-11-2-4-12(5-3-11)23-15(16)17/h2-7,15,19H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 390.43 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 39794772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).