N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide

C11H22F2N2O4S2 — CID 107482498

IUPACN-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O4S2/c1-3-21(18,19)14-9(4-7-20-2)11(17)15(5-6-16)8-10(12)13/h9-10,14,16H,3-8H2,1-2H3
InChIKeyCJCOXCJCFYTJOS-UHFFFAOYSA-N
MW348.44 g/mol
LogP0.13
Rot. Bonds11

About N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide

N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide (PubChem CID 107482498) has the molecular formula C11H22F2N2O4S2 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide
PubChem CID107482498
Molecular FormulaC11H22F2N2O4S2
Molecular Weight348.44 g/mol
Exact Mass348.10
IUPAC NameN-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O4S2/c1-3-21(18,19)14-9(4-7-20-2)11(17)15(5-6-16)8-10(12)13/h9-10,14,16H,3-8H2,1-2H3
InChIKeyCJCOXCJCFYTJOS-UHFFFAOYSA-N
XLogP0.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-hydroxyethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 54874270
2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 55009324
2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60944737
2-amino-N-butyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60946029
2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 60947327
(2S)-2-amino-N-(2-hydroxyethyl)-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165148
2-amino-4-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 63827588
2-amino-N-methyl-4-methylsulfonyl-N-(3,3,3-trifluoropropyl)butanamide
CID 65537792
2-[(2-Amino-4-methylsulfonylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258659
2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide
CID 79805748
2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103755800
2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103755834

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide (CID 107482498) is N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide is CCS(=O)(=O)NC(CCSC)C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide?
The InChIKey is CJCOXCJCFYTJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O4S2/c1-3-21(18,19)14-9(4-7-20-2)11(17)15(5-6-16)8-10(12)13/h9-10,14,16H,3-8H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide?
N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide has a molecular weight of 348.44 g/mol, XLogP of 0.13, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 107482498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).