[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate

C21H23F2N3O7S — CID 16530183

IUPAC[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)c2cccc(OC(F)F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23F2N3O7S/c1-13-7-8-15(10-17(13)34(30,31)26(2)3)25-18(27)12-32-19(28)11-24-20(29)14-5-4-6-16(9-14)33-21(22)23/h4-10,21H,11-12H2,1-3H3,(H,24,29)(H,25,27)
InChIKeyYBCOROFXROEUMX-UHFFFAOYSA-N
MW499.49 g/mol
LogP1.76
Rot. Bonds10

About [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate

[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate (PubChem CID 16530183) has the molecular formula C21H23F2N3O7S and a molecular weight of 499.49 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
PubChem CID16530183
Molecular FormulaC21H23F2N3O7S
Molecular Weight499.49 g/mol
Exact Mass499.12
IUPAC Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)c2cccc(OC(F)F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23F2N3O7S/c1-13-7-8-15(10-17(13)34(30,31)26(2)3)25-18(27)12-32-19(28)11-24-20(29)14-5-4-6-16(9-14)33-21(22)23/h4-10,21H,11-12H2,1-3H3,(H,24,29)(H,25,27)
InChIKeyYBCOROFXROEUMX-UHFFFAOYSA-N
XLogP1.76
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate with MolForge

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
CID 26521263
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882526
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55926774
4-O-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506458
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 35691422
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 35590082
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29155297
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 46791546
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 41133821
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26072093
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 3932456

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate (CID 16530183) is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate is Cc1ccc(NC(=O)COC(=O)CNC(=O)c2cccc(OC(F)F)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The InChIKey is YBCOROFXROEUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O7S/c1-13-7-8-15(10-17(13)34(30,31)26(2)3)25-18(27)12-32-19(28)11-24-20(29)14-5-4-6-16(9-14)33-21(22)23/h4-10,21H,11-12H2,1-3H3,(H,24,29)(H,25,27).
What are the key properties of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate has a molecular weight of 499.49 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate is sourced from PubChem (CID 16530183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).