4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide

C13H20N2O4S — CID 103154459

IUPAC4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)CC(CN)OC
InChIInChI=1S/C13H20N2O4S/c1-3-20(17,18)12-7-5-4-6-11(12)15-13(16)8-10(9-14)19-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyJOGFYVLQWMFQHX-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.78
Rot. Bonds7

About 4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide

4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide (PubChem CID 103154459) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
PubChem CID103154459
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)CC(CN)OC
InChIInChI=1S/C13H20N2O4S/c1-3-20(17,18)12-7-5-4-6-11(12)15-13(16)8-10(9-14)19-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyJOGFYVLQWMFQHX-UHFFFAOYSA-N
XLogP0.78
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 103154438
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
CID 103154440
N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 120589432
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278
2-[(4-amino-3-methoxybutanoyl)amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120586728
2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide
CID 76892969
methyl 2-(2-ethylsulfonylanilino)butanoate
CID 115352923
4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide
CID 114227332
4-amino-N-(2-cyano-3-methylphenyl)-3-methoxybutanamide
CID 107805124
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide
CID 120597455

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide (CID 103154459) is 4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide is CCS(=O)(=O)c1ccccc1NC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide?
The InChIKey is JOGFYVLQWMFQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-20(17,18)12-7-5-4-6-11(12)15-13(16)8-10(9-14)19-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide?
4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide has a molecular weight of 300.38 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide is sourced from PubChem (CID 103154459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).