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

C14H24ClN3O3S — CID 119741190

IUPAC3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-10(15)9-14(18)16-11(2)12-5-7-13(8-6-12)21(19,20)17(3)4;/h5-8,10-11H,9,15H2,1-4H3,(H,16,18);1H
InChIKeyIAASPUJLBGIACF-UHFFFAOYSA-N
MW349.88 g/mol
LogP1.27
Rot. Bonds6

About 3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride

3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride (PubChem CID 119741190) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is 3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
PubChem CID119741190
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC Name3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-10(15)9-14(18)16-11(2)12-5-7-13(8-6-12)21(19,20)17(3)4;/h5-8,10-11H,9,15H2,1-4H3,(H,16,18);1H
InChIKeyIAASPUJLBGIACF-UHFFFAOYSA-N
XLogP1.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
CID 120589757
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 119299114
7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
CID 119741155
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667680
2-(aminomethyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119741182
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55893493
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 55894640
1-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299101
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 55948510

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride (CID 119741190) is 3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride is CC(N)CC(=O)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
The InChIKey is IAASPUJLBGIACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-10(15)9-14(18)16-11(2)12-5-7-13(8-6-12)21(19,20)17(3)4;/h5-8,10-11H,9,15H2,1-4H3,(H,16,18);1H.
What are the key properties of 3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119741190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).