2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide

C9H18F2N2O4S — CID 107479498

IUPAC2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O4S/c1-18(16,17)5-2-7(12)9(15)13(3-4-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3
InChIKeyADOVITVMLWQOMW-UHFFFAOYSA-N
MW288.32 g/mol
LogP-1.17
Rot. Bonds8

About 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide

2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide (PubChem CID 107479498) has the molecular formula C9H18F2N2O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
PubChem CID107479498
Molecular FormulaC9H18F2N2O4S
Molecular Weight288.32 g/mol
Exact Mass288.10
IUPAC Name2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O4S/c1-18(16,17)5-2-7(12)9(15)13(3-4-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3
InChIKeyADOVITVMLWQOMW-UHFFFAOYSA-N
XLogP-1.17
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl-[(2R)-4-methylsulfonyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 130236589
Tert-butyl-[4-methylsulfonyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 130236598
2-amino-N-(2-hydroxyethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 54874270
2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 55009227
2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 55009324
2-amino-N-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60891002
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-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 60946357
2-amino-N-methyl-4-methylsulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 60946809
2-amino-4-methylsulfonyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 60947327
2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60947772

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide (CID 107479498) is 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)N(CCO)CC(F)F.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
The InChIKey is ADOVITVMLWQOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O4S/c1-18(16,17)5-2-7(12)9(15)13(3-4-14)6-8(10)11/h7-8,14H,2-6,12H2,1H3.
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide has a molecular weight of 288.32 g/mol, XLogP of -1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 107479498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).