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

C16H28ClN3O3S — CID 119686834

IUPAC3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-5-19(6-2)23(21,22)15-9-7-14(8-10-15)13(4)18-16(20)11-12(3)17;/h7-10,12-13H,5-6,11,17H2,1-4H3,(H,18,20);1H
InChIKeyXLKITTRWFIGMIV-UHFFFAOYSA-N
MW377.94 g/mol
LogP2.05
Rot. Bonds8

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

3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride (PubChem CID 119686834) has the molecular formula C16H28ClN3O3S and a molecular weight of 377.94 g/mol. Its IUPAC name is 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
PubChem CID119686834
Molecular FormulaC16H28ClN3O3S
Molecular Weight377.94 g/mol
Exact Mass377.15
IUPAC Name3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-5-19(6-2)23(21,22)15-9-7-14(8-10-15)13(4)18-16(20)11-12(3)17;/h7-10,12-13H,5-6,11,17H2,1-4H3,(H,18,20);1H
InChIKeyXLKITTRWFIGMIV-UHFFFAOYSA-N
XLogP2.05
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119741190
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139
N-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8802080
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(5-methylthiophen-2-yl)acetamide
CID 60580112
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride (CID 119686834) is 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CC(C)N)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
The InChIKey is XLKITTRWFIGMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S.ClH/c1-5-19(6-2)23(21,22)15-9-7-14(8-10-15)13(4)18-16(20)11-12(3)17;/h7-10,12-13H,5-6,11,17H2,1-4H3,(H,18,20);1H.
What are the key properties of 3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride?
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 2.05, 8 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-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119686834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).