3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide

C18H18F3NO3S — CID 167891902

IUPAC3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)ccc1C(F)(F)F
InChIInChI=1S/C18H18F3NO3S/c1-11-9-13(7-8-15(11)18(19,20)21)17(23)22-16-6-4-5-14(12(16)2)10-26(3,24)25/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyHHCUKIKLSHWETB-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.12
Rot. Bonds4

About 3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide

3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 167891902) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID167891902
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)ccc1C(F)(F)F
InChIInChI=1S/C18H18F3NO3S/c1-11-9-13(7-8-15(11)18(19,20)21)17(23)22-16-6-4-5-14(12(16)2)10-26(3,24)25/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyHHCUKIKLSHWETB-UHFFFAOYSA-N
XLogP4.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 59381869
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128325
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide
CID 56791677
2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide
CID 119793659
4-methyl-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 50946761
1-N-(4-methylphenyl)-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109056986
3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572209
3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896
4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62679068

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide (CID 167891902) is 3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide is Cc1cc(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)ccc1C(F)(F)F.
What is the InChIKey of 3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HHCUKIKLSHWETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-11-9-13(7-8-15(11)18(19,20)21)17(23)22-16-6-4-5-14(12(16)2)10-26(3,24)25/h4-9H,10H2,1-3H3,(H,22,23).
What are the key properties of 3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide?
3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 385.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 167891902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).