2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide

C10H19F3N2O4S2 — CID 103755800

IUPAC2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O4S2/c1-3-21(18,19)15-7(4-5-20-2)9(17)14-6-8(16)10(11,12)13/h7-8,15-16H,3-6H2,1-2H3,(H,14,17)
InChIKeyVRRIPSOQIDUHBC-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.09
Rot. Bonds9

About 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide

2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (PubChem CID 103755800) has the molecular formula C10H19F3N2O4S2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
PubChem CID103755800
Molecular FormulaC10H19F3N2O4S2
Molecular Weight352.40 g/mol
Exact Mass352.07
IUPAC Name2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O4S2/c1-3-21(18,19)15-7(4-5-20-2)9(17)14-6-8(16)10(11,12)13/h7-8,15-16H,3-6H2,1-2H3,(H,14,17)
InChIKeyVRRIPSOQIDUHBC-UHFFFAOYSA-N
XLogP0.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The IUPAC name of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (CID 103755800) is 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The canonical SMILES for 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is CCS(=O)(=O)NC(CCSC)C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The InChIKey is VRRIPSOQIDUHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O4S2/c1-3-21(18,19)15-7(4-5-20-2)9(17)14-6-8(16)10(11,12)13/h7-8,15-16H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide has a molecular weight of 352.40 g/mol, XLogP of 0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is sourced from PubChem (CID 103755800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).