methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate

C15H20F3NO4S — CID 135283055

IUPACmethyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate
SMILESCOC(=O)C(CC(C)C)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C15H20F3NO4S/c1-10(2)9-14(13(20)23-4,15(16,17)18)19-24(21,22)12-7-5-11(3)6-8-12/h5-8,10,19H,9H2,1-4H3
InChIKeyBKJCDXVGWBWKCL-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.79
Rot. Bonds6

About methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate

methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate (PubChem CID 135283055) has the molecular formula C15H20F3NO4S and a molecular weight of 367.39 g/mol. Its IUPAC name is methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate
PubChem CID135283055
Molecular FormulaC15H20F3NO4S
Molecular Weight367.39 g/mol
Exact Mass367.11
IUPAC Namemethyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate
SMILESCOC(=O)C(CC(C)C)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C15H20F3NO4S/c1-10(2)9-14(13(20)23-4,15(16,17)18)19-24(21,22)12-7-5-11(3)6-8-12/h5-8,10,19H,9H2,1-4H3
InChIKeyBKJCDXVGWBWKCL-UHFFFAOYSA-N
XLogP2.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate 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

methyl (2S)-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]-2-[[[(1R)-1-phenylethyl]amino]methyl]propanoate
CID 134835567
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)butanoate
CID 5248244
4-methyl-N-[1,1,1-trifluoro-2-(hydroxymethyl)-4-methylpentan-2-yl]benzenesulfonamide
CID 135282079
methyl (2R)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 28887754
ethyl (2S)-2-(benzylsulfanylmethyl)-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 101442419
dimethyl 2-[(2R)-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propyl]propanedioate
CID 102462880
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
ethyl 3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]-2-phenylmethoxypropanoate
CID 3567506
4-methyl-N-[(2S)-1,1,1-trifluoro-2-(hydroxymethyl)butan-2-yl]benzenesulfonamide
CID 53309012
methyl 2-iodo-2-methyl-3-(4-methylphenyl)sulfonylpropanoate
CID 14112888
ethyl 2-bis(ethylperoxy)phosphoryl-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 91872802
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate?
The IUPAC name of methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate (CID 135283055) is methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate is COC(=O)C(CC(C)C)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F.
What is the InChIKey of methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate?
The InChIKey is BKJCDXVGWBWKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO4S/c1-10(2)9-14(13(20)23-4,15(16,17)18)19-24(21,22)12-7-5-11(3)6-8-12/h5-8,10,19H,9H2,1-4H3.
What are the key properties of methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate?
methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate has a molecular weight of 367.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pentanoate is sourced from PubChem (CID 135283055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).