(2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide

C13H17F3N2O4S — CID 95202519

IUPAC(2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O4S/c1-18(2)23(21,22)8-7-17-12(20)11(19)9-3-5-10(6-4-9)13(14,15)16/h3-6,11,19H,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyMMXQBVPFXIVYSQ-NSHDSACASA-N
MW354.35 g/mol
LogP0.75
Rot. Bonds6

About (2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide

(2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 95202519) has the molecular formula C13H17F3N2O4S and a molecular weight of 354.35 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID95202519
Molecular FormulaC13H17F3N2O4S
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Name(2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O4S/c1-18(2)23(21,22)8-7-17-12(20)11(19)9-3-5-10(6-4-9)13(14,15)16/h3-6,11,19H,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyMMXQBVPFXIVYSQ-NSHDSACASA-N
XLogP0.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
(2R)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337291
2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 69018228
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea
CID 118765522
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534932
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106337406
3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide
CID 95193542
2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride
CID 57421218
2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43103125

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of (2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide (CID 95202519) is (2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for (2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for (2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide is CN(C)S(=O)(=O)CCNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MMXQBVPFXIVYSQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H17F3N2O4S/c1-18(2)23(21,22)8-7-17-12(20)11(19)9-3-5-10(6-4-9)13(14,15)16/h3-6,11,19H,7-8H2,1-2H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide?
(2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 354.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 95202519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).