N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide

C10H19F3N2O4S — CID 177087425

IUPACN-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide
SMILESCC(C)(C)NS(=O)(=O)CCNC(=O)CC(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-9(2,3)15-20(18,19)5-4-14-8(17)6-7(16)10(11,12)13/h7,15-16H,4-6H2,1-3H3,(H,14,17)
InChIKeyXJFUQVMNCZTTBQ-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.13
Rot. Bonds6

About N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide

N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide (PubChem CID 177087425) has the molecular formula C10H19F3N2O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide
PubChem CID177087425
Molecular FormulaC10H19F3N2O4S
Molecular Weight320.33 g/mol
Exact Mass320.10
IUPAC NameN-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide
SMILESCC(C)(C)NS(=O)(=O)CCNC(=O)CC(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-9(2,3)15-20(18,19)5-4-14-8(17)6-7(16)10(11,12)13/h7,15-16H,4-6H2,1-3H3,(H,14,17)
InChIKeyXJFUQVMNCZTTBQ-UHFFFAOYSA-N
XLogP0.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726141
3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106336943
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103881683
N-tert-butyl-2-methylsulfonylethanesulfonamide
CID 64591010
2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide
CID 103723244
2-methyl-2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 106336691
4,4,4-trifluoro-3-methyl-N-propylbutanamide
CID 162623070
3-amino-N-(2-ethylsulfonylethyl)butanamide
CID 103810382
3,3,3-trifluoro-N-(2-sulfamoylethyl)-2-(trifluoromethyl)propanamide
CID 103310839
2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726360
4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 106334761
N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide?
The IUPAC name of N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide (CID 177087425) is N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide.
What is the SMILES notation for N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide?
The canonical SMILES for N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide is CC(C)(C)NS(=O)(=O)CCNC(=O)CC(O)C(F)(F)F.
What is the InChIKey of N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide?
The InChIKey is XJFUQVMNCZTTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O4S/c1-9(2,3)15-20(18,19)5-4-14-8(17)6-7(16)10(11,12)13/h7,15-16H,4-6H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide?
N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide has a molecular weight of 320.33 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide is sourced from PubChem (CID 177087425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).