N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide

C14H14F2N2O4S2 — CID 51270529

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C14H14F2N2O4S2/c1-18(7-9-2-4-11(5-3-9)22-14(15)16)13(19)10-6-12(23-8-10)24(17,20)21/h2-6,8,14H,7H2,1H3,(H2,17,20,21)
InChIKeyQIFHHUQCKWWUHH-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.27
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide (PubChem CID 51270529) has the molecular formula C14H14F2N2O4S2 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide
PubChem CID51270529
Molecular FormulaC14H14F2N2O4S2
Molecular Weight376.41 g/mol
Exact Mass376.04
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C14H14F2N2O4S2/c1-18(7-9-2-4-11(5-3-9)22-14(15)16)13(19)10-6-12(23-8-10)24(17,20)21/h2-6,8,14H,7H2,1H3,(H2,17,20,21)
InChIKeyQIFHHUQCKWWUHH-UHFFFAOYSA-N
XLogP2.27
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31238666
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 18283523
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
CID 35683846
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide
CID 55518274
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide
CID 62223262
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 34988962
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 30558543
5-[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820658
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide (CID 51270529) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is QIFHHUQCKWWUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O4S2/c1-18(7-9-2-4-11(5-3-9)22-14(15)16)13(19)10-6-12(23-8-10)24(17,20)21/h2-6,8,14H,7H2,1H3,(H2,17,20,21).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 51270529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).