N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

C22H21F2N3O4S2 — CID 55595735

IUPACN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCNC(=O)C(NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H21F2N3O4S2/c1-25-22(29)20(15-6-9-18(23)19(24)13-15)27-21(28)14-4-7-17(8-5-14)33(30,31)26-11-10-16-3-2-12-32-16/h2-9,12-13,20,26H,10-11H2,1H3,(H,25,29)(H,27,28)
InChIKeyKGFADWFXBNYGAU-UHFFFAOYSA-N
MW493.56 g/mol
LogP2.76
Rot. Bonds9

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 55595735) has the molecular formula C22H21F2N3O4S2 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID55595735
Molecular FormulaC22H21F2N3O4S2
Molecular Weight493.56 g/mol
Exact Mass493.09
IUPAC NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCNC(=O)C(NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H21F2N3O4S2/c1-25-22(29)20(15-6-9-18(23)19(24)13-15)27-21(28)14-4-7-17(8-5-14)33(30,31)26-11-10-16-3-2-12-32-16/h2-9,12-13,20,26H,10-11H2,1H3,(H,25,29)(H,27,28)
InChIKeyKGFADWFXBNYGAU-UHFFFAOYSA-N
XLogP2.76
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55502416
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55502156
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 78841518
4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate
CID 9160250
4-(2-cyanoethylsulfamoyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 78804741
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55956808
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55629313
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 55502073
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 55595735) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is CNC(=O)C(NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is KGFADWFXBNYGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O4S2/c1-25-22(29)20(15-6-9-18(23)19(24)13-15)27-21(28)14-4-7-17(8-5-14)33(30,31)26-11-10-16-3-2-12-32-16/h2-9,12-13,20,26H,10-11H2,1H3,(H,25,29)(H,27,28).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 493.56 g/mol, XLogP of 2.76, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 55595735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).