4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C22H25F3N2O4S — CID 43063392

IUPAC4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(CN(C(C)C2CC2)S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H25F3N2O4S/c1-15(17-5-6-17)27(13-16-3-9-19(31-2)10-4-16)32(29,30)20-11-7-18(8-12-20)21(28)26-14-22(23,24)25/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,26,28)
InChIKeyZYQHGSLANUXUGM-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.98
Rot. Bonds9

About 4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 43063392) has the molecular formula C22H25F3N2O4S and a molecular weight of 470.51 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID43063392
Molecular FormulaC22H25F3N2O4S
Molecular Weight470.51 g/mol
Exact Mass470.15
IUPAC Name4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(CN(C(C)C2CC2)S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H25F3N2O4S/c1-15(17-5-6-17)27(13-16-3-9-19(31-2)10-4-16)32(29,30)20-11-7-18(8-12-20)21(28)26-14-22(23,24)25/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,26,28)
InChIKeyZYQHGSLANUXUGM-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide
CID 51926702
4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 125116690
N-[(1S)-1-cyclopropylethyl]-N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 38879031
N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide
CID 132668447
methyl 4-[[(4-methoxyphenyl)sulfonyl-[3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]methyl]benzoate
CID 69451351
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
4-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 99973102
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278727
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
CID 104857865

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 43063392) is 4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is COc1ccc(CN(C(C)C2CC2)S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ZYQHGSLANUXUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4S/c1-15(17-5-6-17)27(13-16-3-9-19(31-2)10-4-16)32(29,30)20-11-7-18(8-12-20)21(28)26-14-22(23,24)25/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,26,28).
What are the key properties of 4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 470.51 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 43063392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).