4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride

C14H24ClN3O3S — CID 119685718

IUPAC4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-11(2)17-21(19,20)13-8-6-12(7-9-13)16-14(18)5-4-10-15-3;/h6-9,11,15,17H,4-5,10H2,1-3H3,(H,16,18);1H
InChIKeyBFGUZSLGRAWMPM-UHFFFAOYSA-N
MW349.88 g/mol
LogP1.73
Rot. Bonds8

About 4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride

4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride (PubChem CID 119685718) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is 4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
PubChem CID119685718
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC Name4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-11(2)17-21(19,20)13-8-6-12(7-9-13)16-14(18)5-4-10-15-3;/h6-9,11,15,17H,4-5,10H2,1-3H3,(H,16,18);1H
InChIKeyBFGUZSLGRAWMPM-UHFFFAOYSA-N
XLogP1.73
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 79194887
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 119692437
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide
CID 60687796
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
3-[4-[4-(methylamino)butanoylamino]phenyl]butanoic acid
CID 104503002
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
2-(4-methoxyphenyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 2222071
4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 120587040
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride (CID 119685718) is 4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride is CNCCCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.Cl.
What is the InChIKey of 4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride?
The InChIKey is BFGUZSLGRAWMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-11(2)17-21(19,20)13-8-6-12(7-9-13)16-14(18)5-4-10-15-3;/h6-9,11,15,17H,4-5,10H2,1-3H3,(H,16,18);1H.
What are the key properties of 4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride?
4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119685718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).