N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide

C10H19F3N2O4S — CID 177087580

IUPACN-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide
SMILESCC(C)(C)NS(=O)(=O)CCNC(=O)C(CO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-9(2,3)15-20(18,19)5-4-14-8(17)7(6-16)10(11,12)13/h7,15-16H,4-6H2,1-3H3,(H,14,17)
InChIKeyJDSWPCOHEMPRMO-UHFFFAOYSA-N
MW320.33 g/mol
LogP-0.01
Rot. Bonds6

About N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide

N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide (PubChem CID 177087580) has the molecular formula C10H19F3N2O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide.

Molecular Properties

Compound NameN-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide
PubChem CID177087580
Molecular FormulaC10H19F3N2O4S
Molecular Weight320.33 g/mol
Exact Mass320.10
IUPAC NameN-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide
SMILESCC(C)(C)NS(=O)(=O)CCNC(=O)C(CO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-9(2,3)15-20(18,19)5-4-14-8(17)7(6-16)10(11,12)13/h7,15-16H,4-6H2,1-3H3,(H,14,17)
InChIKeyJDSWPCOHEMPRMO-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-2-(hydroxymethyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 166119510
N-[2-(tert-butylsulfamoyl)ethyl]-4,4,4-trifluoro-3-hydroxybutanamide
CID 177087425
N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide
CID 177087481
N-(2,2-difluoro-3-hydroxypropyl)-2-(propylsulfonylamino)propanamide
CID 104857895

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide?
The IUPAC name of N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide (CID 177087580) is N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide.
What is the SMILES notation for N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide?
The canonical SMILES for N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide is CC(C)(C)NS(=O)(=O)CCNC(=O)C(CO)C(F)(F)F.
What is the InChIKey of N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide?
The InChIKey is JDSWPCOHEMPRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O4S/c1-9(2,3)15-20(18,19)5-4-14-8(17)7(6-16)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]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide?
N-[2-(tert-butylsulfamoyl)ethyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide has a molecular weight of 320.33 g/mol, XLogP of -0.01, 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]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide is sourced from PubChem (CID 177087580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).