4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide

C12H18N2O4S — CID 103154230

IUPAC4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-18-10(8-13)7-12(15)14-9-3-5-11(6-4-9)19(2,16)17/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyVUVGNGYACLEJLF-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.39
Rot. Bonds6

About 4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide

4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide (PubChem CID 103154230) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
PubChem CID103154230
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-18-10(8-13)7-12(15)14-9-3-5-11(6-4-9)19(2,16)17/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyVUVGNGYACLEJLF-UHFFFAOYSA-N
XLogP0.39
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 120587040
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide
CID 120592672
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603
4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride
CID 120589330
4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
CID 103154687

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide (CID 103154230) is 4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide is COC(CN)CC(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide?
The InChIKey is VUVGNGYACLEJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-10(8-13)7-12(15)14-9-3-5-11(6-4-9)19(2,16)17/h3-6,10H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide?
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide has a molecular weight of 286.35 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 103154230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).