3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide

C20H20F3N3O5S — CID 34758523

IUPAC3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C20H20F3N3O5S/c1-31-16-9-6-12(10-17(16)32(29,30)26-13-7-8-13)18(27)25-15-5-3-2-4-14(15)19(28)24-11-20(21,22)23/h2-6,9-10,13,26H,7-8,11H2,1H3,(H,24,28)(H,25,27)
InChIKeyYBNJUJSAFHFOJW-UHFFFAOYSA-N
MW471.46 g/mol
LogP2.68
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide

3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide (PubChem CID 34758523) has the molecular formula C20H20F3N3O5S and a molecular weight of 471.46 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide
PubChem CID34758523
Molecular FormulaC20H20F3N3O5S
Molecular Weight471.46 g/mol
Exact Mass471.11
IUPAC Name3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C20H20F3N3O5S/c1-31-16-9-6-12(10-17(16)32(29,30)26-13-7-8-13)18(27)25-15-5-3-2-4-14(15)19(28)24-11-20(21,22)23/h2-6,9-10,13,26H,7-8,11H2,1H3,(H,24,28)(H,25,27)
InChIKeyYBNJUJSAFHFOJW-UHFFFAOYSA-N
XLogP2.68
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 120569275
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate
CID 38201593
3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 45373661
N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
CID 100795505
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46644366

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide (CID 34758523) is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide?
The InChIKey is YBNJUJSAFHFOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O5S/c1-31-16-9-6-12(10-17(16)32(29,30)26-13-7-8-13)18(27)25-15-5-3-2-4-14(15)19(28)24-11-20(21,22)23/h2-6,9-10,13,26H,7-8,11H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide?
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide has a molecular weight of 471.46 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 34758523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).