4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

C19H21F3N2O3S — CID 45104342

IUPAC4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
SMILESCC(C)Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-13(2)11-14-3-5-15(6-4-14)18(25)23-9-10-28(26,27)17-8-7-16(12-24-17)19(20,21)22/h3-8,12-13H,9-11H2,1-2H3,(H,23,25)
InChIKeyKDFWMEDNCJHMME-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.50
Rot. Bonds7

About 4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide (PubChem CID 45104342) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
PubChem CID45104342
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
SMILESCC(C)Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-13(2)11-14-3-5-15(6-4-14)18(25)23-9-10-28(26,27)17-8-7-16(12-24-17)19(20,21)22/h3-8,12-13H,9-11H2,1-2H3,(H,23,25)
InChIKeyKDFWMEDNCJHMME-UHFFFAOYSA-N
XLogP3.50
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gsk3787
CID 2800647
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
N-(4,4-difluorocyclohexyl)-2-propylsulfanylpyridine-3-carboxamide
CID 60165517
4-(Benzyl-methanesulfonyl-amino)-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-benzamide
CID 2262896
4-phenyl-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide
CID 45104340
N-phenyl-4-[(pyridin-2-ylsulfanyl)methyl]benzamide
CID 851610
N-(4-methylphenyl)-4-[(2-pyridinylthio)methyl]benzamide
CID 851611
N-(2,4-difluorophenyl)-6-(isopropylsulfonyl)nicotinamide
CID 1486242
4-[(4-methylphenyl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide
CID 2230025
4-{[(3,4-Dimethyl-phenyl)-methanesulfonyl-amino]-methyl}-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-benzamide
CID 2278790
(2,5-Difluorophenyl){1-[(pyridin-2-ylthio)acetyl]piperidin-3-yl}methanone
CID 16191231
4-cyclohexyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 45104341

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The IUPAC name of 4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide (CID 45104342) is 4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide is CC(C)Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The InChIKey is KDFWMEDNCJHMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-13(2)11-14-3-5-15(6-4-14)18(25)23-9-10-28(26,27)17-8-7-16(12-24-17)19(20,21)22/h3-8,12-13H,9-11H2,1-2H3,(H,23,25).
What are the key properties of 4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide has a molecular weight of 414.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide is sourced from PubChem (CID 45104342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).