3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide

C14H22N2O4S — CID 106917610

IUPAC3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)S(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C14H22N2O4S/c1-10(14(18)15-3)9-16(4)21(19,20)13-7-5-12(6-8-13)11(2)17/h5-8,10-11,17H,9H2,1-4H3,(H,15,18)
InChIKeyGHZQUIAJAGOGAI-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.74
Rot. Bonds6

About 3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide

3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 106917610) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide
PubChem CID106917610
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)S(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C14H22N2O4S/c1-10(14(18)15-3)9-16(4)21(19,20)13-7-5-12(6-8-13)11(2)17/h5-8,10-11,17H,9H2,1-4H3,(H,15,18)
InChIKeyGHZQUIAJAGOGAI-UHFFFAOYSA-N
XLogP0.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914097
methyl 2-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]acetate
CID 43507226
N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62337347
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
3-[(2-bromophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 103723773
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43507359
N,2-dimethyl-3-[methyl(methylsulfonyl)amino]propanamide
CID 103723774
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914039
3-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914050
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914100
methyl 3-[(4-carbamoylphenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61059514

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide (CID 106917610) is 3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)S(=O)(=O)c1ccc(C(C)O)cc1.
What is the InChIKey of 3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is GHZQUIAJAGOGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(14(18)15-3)9-16(4)21(19,20)13-7-5-12(6-8-13)11(2)17/h5-8,10-11,17H,9H2,1-4H3,(H,15,18).
What are the key properties of 3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide?
3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106917610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).