4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide

C15H25N3O4S — CID 120589757

IUPAC4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H25N3O4S/c1-11(17-15(19)9-13(10-16)22-4)12-5-7-14(8-6-12)23(20,21)18(2)3/h5-8,11,13H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyMJOOBESBJJXWKH-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.48
Rot. Bonds8

About 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide

4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide (PubChem CID 120589757) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
PubChem CID120589757
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H25N3O4S/c1-11(17-15(19)9-13(10-16)22-4)12-5-7-14(8-6-12)23(20,21)18(2)3/h5-8,11,13H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyMJOOBESBJJXWKH-UHFFFAOYSA-N
XLogP0.48
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119741190
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 119299114
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587047
7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
CID 119741155
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
CID 103154687
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 55894640
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55893493
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
CID 120593675

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide (CID 120589757) is 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide is COC(CN)CC(=O)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide?
The InChIKey is MJOOBESBJJXWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-11(17-15(19)9-13(10-16)22-4)12-5-7-14(8-6-12)23(20,21)18(2)3/h5-8,11,13H,9-10,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide?
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide has a molecular weight of 343.45 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide is sourced from PubChem (CID 120589757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).