(2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide

C13H16F3NO3S — CID 99829225

IUPAC(2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)S(C)(=O)=O
InChIInChI=1S/C13H16F3NO3S/c1-8-6-11(13(14,15)16)5-4-10(8)7-17-12(18)9(2)21(3,19)20/h4-6,9H,7H2,1-3H3,(H,17,18)/t9-/m1/s1
InChIKeySBZMWDZGVAGTHG-SECBINFHSA-N
MW323.34 g/mol
LogP2.06
Rot. Bonds4

About (2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide

(2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 99829225) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is (2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID99829225
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC Name(2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)S(C)(=O)=O
InChIInChI=1S/C13H16F3NO3S/c1-8-6-11(13(14,15)16)5-4-10(8)7-17-12(18)9(2)21(3,19)20/h4-6,9H,7H2,1-3H3,(H,17,18)/t9-/m1/s1
InChIKeySBZMWDZGVAGTHG-SECBINFHSA-N
XLogP2.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide 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

(2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 99829185
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
2-cyano-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]acetamide
CID 99830862
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]urea
CID 154744208
2-methyl-N-[[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]propanamide
CID 140639015
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 99829147
4-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509707
2-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 114970666
N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 104520934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide (CID 99829225) is (2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide is Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)S(C)(=O)=O.
What is the InChIKey of (2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is SBZMWDZGVAGTHG-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c1-8-6-11(13(14,15)16)5-4-10(8)7-17-12(18)9(2)21(3,19)20/h4-6,9H,7H2,1-3H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide?
(2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 323.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 99829225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).