2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide

C13H17F3N2O3S — CID 97347801

IUPAC2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O3S/c1-9(18-12(19)8-22(20,21)17-2)7-10-5-3-4-6-11(10)13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)/t9-/m0/s1
InChIKeyUIMRRYSFYBRJOR-VIFPVBQESA-N
MW338.35 g/mol
LogP1.30
Rot. Bonds6

About 2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide

2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide (PubChem CID 97347801) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide
PubChem CID97347801
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESCNS(=O)(=O)CC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O3S/c1-9(18-12(19)8-22(20,21)17-2)7-10-5-3-4-6-11(10)13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)/t9-/m0/s1
InChIKeyUIMRRYSFYBRJOR-VIFPVBQESA-N
XLogP1.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide 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

3-[2-oxo-2-[1-[2-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl]benzoic acid
CID 120552784
5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
CID 120552775
4-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoylamino]butanoic acid
CID 122009480
1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110024617
(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 95029864
4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 84599637
2-[[2-(trifluoromethyl)phenyl]methylsulfamoyl]propanoic acid
CID 62881645
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575
(3S)-3-(propan-2-ylamino)-4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 148776876
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 125137281
(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide
CID 97347258
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110019212

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The IUPAC name of 2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide (CID 97347801) is 2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide is CNS(=O)(=O)CC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The InChIKey is UIMRRYSFYBRJOR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-9(18-12(19)8-22(20,21)17-2)7-10-5-3-4-6-11(10)13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)/t9-/m0/s1.
What are the key properties of 2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide has a molecular weight of 338.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 97347801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).