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

C14H23N3O3S — CID 119299114

IUPAC4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
SMILESCC(NC(=O)CCCN)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-11(16-14(18)5-4-10-15)12-6-8-13(9-7-12)21(19,20)17(2)3/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18)
InChIKeyNRELKQBZAOPIMC-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.85
Rot. Bonds7

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

4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide (PubChem CID 119299114) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
PubChem CID119299114
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
SMILESCC(NC(=O)CCCN)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-11(16-14(18)5-4-10-15)12-6-8-13(9-7-12)21(19,20)17(2)3/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18)
InChIKeyNRELKQBZAOPIMC-UHFFFAOYSA-N
XLogP0.85
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
CID 119741155
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119741190
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
CID 120589757
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
4-(4-acetyl-2-methoxyphenoxy)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 55892746
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide (CID 119299114) is 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide is CC(NC(=O)CCCN)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide?
The InChIKey is NRELKQBZAOPIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11(16-14(18)5-4-10-15)12-6-8-13(9-7-12)21(19,20)17(2)3/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide?
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide has a molecular weight of 313.42 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 119299114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).