N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide

C18H19F3N2O4S — CID 9470026

IUPACN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19F3N2O4S/c1-4-27-15-10-9-14(11-16(15)28(25,26)23(2)3)22-17(24)12-5-7-13(8-6-12)18(19,20)21/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyYAMYDJMXAPDRMP-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.61
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide (PubChem CID 9470026) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
PubChem CID9470026
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19F3N2O4S/c1-4-27-15-10-9-14(11-16(15)28(25,26)23(2)3)22-17(24)12-5-7-13(8-6-12)18(19,20)21/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyYAMYDJMXAPDRMP-UHFFFAOYSA-N
XLogP3.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide
CID 26421713
4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide
CID 31743702
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9470148
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(1,3-dithian-2-yl)benzamide
CID 26421884
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324
4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide
CID 134040694
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 30838314
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide (CID 9470026) is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide is CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is YAMYDJMXAPDRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-4-27-15-10-9-14(11-16(15)28(25,26)23(2)3)22-17(24)12-5-7-13(8-6-12)18(19,20)21/h5-11H,4H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide?
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 416.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 9470026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).