N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide

C13H19NO4S — CID 115582885

IUPACN-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(CCO)Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H19NO4S/c1-11(19(2,17)18)13(16)14(8-9-15)10-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyZERWGMFRLYJMGC-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.44
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide

N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide (PubChem CID 115582885) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
PubChem CID115582885
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(CCO)Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H19NO4S/c1-11(19(2,17)18)13(16)14(8-9-15)10-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyZERWGMFRLYJMGC-UHFFFAOYSA-N
XLogP0.44
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
CID 120648412
N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115772414
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
2-(benzenesulfonyl)-N,N-dibenzylpropanamide
CID 112779733
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60654045
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97061654
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
CID 110878165
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
N-benzyl-2-methyl-N-methylsulfonylpropanamide
CID 124927817

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide (CID 115582885) is N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide is CC(C(=O)N(CCO)Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide?
The InChIKey is ZERWGMFRLYJMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-11(19(2,17)18)13(16)14(8-9-15)10-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide?
N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide has a molecular weight of 285.36 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 115582885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).