N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

C18H22F2N2O4S2 — CID 56521695

IUPACN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCOCCN(CC(F)F)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C18H22F2N2O4S2/c1-26-11-10-22(13-17(19)20)18(23)14-4-6-16(7-5-14)28(24,25)21-9-8-15-3-2-12-27-15/h2-7,12,17,21H,8-11,13H2,1H3
InChIKeyPCVRSXIUHKLUSX-UHFFFAOYSA-N
MW432.51 g/mol
LogP2.62
Rot. Bonds11

About N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 56521695) has the molecular formula C18H22F2N2O4S2 and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID56521695
Molecular FormulaC18H22F2N2O4S2
Molecular Weight432.51 g/mol
Exact Mass432.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCOCCN(CC(F)F)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C18H22F2N2O4S2/c1-26-11-10-22(13-17(19)20)18(23)14-4-6-16(7-5-14)28(24,25)21-9-8-15-3-2-12-27-15/h2-7,12,17,21H,8-11,13H2,1H3
InChIKeyPCVRSXIUHKLUSX-UHFFFAOYSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55976933
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325
N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30853178
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18116029
N-(2-morpholin-4-yl-2-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 43060346
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511941
N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60597755
3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460854

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 56521695) is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is COCCN(CC(F)F)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is PCVRSXIUHKLUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O4S2/c1-26-11-10-22(13-17(19)20)18(23)14-4-6-16(7-5-14)28(24,25)21-9-8-15-3-2-12-27-15/h2-7,12,17,21H,8-11,13H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 432.51 g/mol, XLogP of 2.62, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 56521695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).