2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C8H16F3N3O4S — CID 167048999

IUPAC2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCC(C)N(CC(=O)NCC(O)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C8H16F3N3O4S/c1-5(2)14(19(12,17)18)4-7(16)13-3-6(15)8(9,10)11/h5-6,15H,3-4H2,1-2H3,(H,13,16)(H2,12,17,18)
InChIKeyZJEVBRSAYUDDFZ-UHFFFAOYSA-N
MW307.29 g/mol
LogP-1.06
Rot. Bonds6

About 2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 167048999) has the molecular formula C8H16F3N3O4S and a molecular weight of 307.29 g/mol. Its IUPAC name is 2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID167048999
Molecular FormulaC8H16F3N3O4S
Molecular Weight307.29 g/mol
Exact Mass307.08
IUPAC Name2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCC(C)N(CC(=O)NCC(O)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C8H16F3N3O4S/c1-5(2)14(19(12,17)18)4-7(16)13-3-6(15)8(9,10)11/h5-6,15H,3-4H2,1-2H3,(H,13,16)(H2,12,17,18)
InChIKeyZJEVBRSAYUDDFZ-UHFFFAOYSA-N
XLogP-1.06
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103809664
2-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 105646053
2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 167049416
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54874849
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 56802200
2-(2-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646844
2-[2-hydroxyethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60691894
N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60953734
N-(2-hydroxyethyl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 61608210
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62015277
2-[2-hydroxypropyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62332980
N-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide
CID 63899221

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 167048999) is 2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is CC(C)N(CC(=O)NCC(O)C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is ZJEVBRSAYUDDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O4S/c1-5(2)14(19(12,17)18)4-7(16)13-3-6(15)8(9,10)11/h5-6,15H,3-4H2,1-2H3,(H,13,16)(H2,12,17,18).
What are the key properties of 2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 307.29 g/mol, XLogP of -1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 167048999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).