N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C19H20F3NO4S — CID 55761591

IUPACN-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO4S/c1-13(2)28(25,26)17-10-6-15(7-11-17)18(24)23(3)12-14-4-8-16(9-5-14)27-19(20,21)22/h4-11,13H,12H2,1-3H3
InChIKeyAOMYVIUQEIAOJL-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.04
Rot. Bonds6

About N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 55761591) has the molecular formula C19H20F3NO4S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID55761591
Molecular FormulaC19H20F3NO4S
Molecular Weight415.43 g/mol
Exact Mass415.11
IUPAC NameN-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO4S/c1-13(2)28(25,26)17-10-6-15(7-11-17)18(24)23(3)12-14-4-8-16(9-5-14)27-19(20,21)22/h4-11,13H,12H2,1-3H3
InChIKeyAOMYVIUQEIAOJL-UHFFFAOYSA-N
XLogP4.04
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
N-[(4-ethylphenyl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 38045291
N,1-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 86924886
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-(trifluoromethylsulfonyl)benzamide
CID 35746005
N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane
CID 143270772
4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 38545760
3-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 60988631
N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 110764877
N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide
CID 43573749
5-(dimethylsulfamoyl)-N-methyl-2-pyrrolidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 37491987
4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511907
4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 47043794

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 55761591) is N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is CC(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is AOMYVIUQEIAOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4S/c1-13(2)28(25,26)17-10-6-15(7-11-17)18(24)23(3)12-14-4-8-16(9-5-14)27-19(20,21)22/h4-11,13H,12H2,1-3H3.
What are the key properties of N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 415.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55761591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).