N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide

C14H23N3O3S — CID 61259448

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-11-7-8-12(16-14(18)6-5-9-15-2)10-13(11)21(19,20)17(3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyVGWAIRLREUWYPI-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.18
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide (PubChem CID 61259448) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
PubChem CID61259448
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-11-7-8-12(16-14(18)6-5-9-15-2)10-13(11)21(19,20)17(3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyVGWAIRLREUWYPI-UHFFFAOYSA-N
XLogP1.18
TPSA78.51 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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
4-[[3-(dimethylsulfamoyl)-4-methylphenyl]carbamoylamino]butanoic acid
CID 122073881
N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride
CID 119797372
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
4-bromo-N-[3-[3-(dimethylsulfamoyl)-4-methylanilino]-3-oxopropyl]benzamide
CID 26774195
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide (CID 61259448) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide?
The InChIKey is VGWAIRLREUWYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11-7-8-12(16-14(18)6-5-9-15-2)10-13(11)21(19,20)17(3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H,16,18).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide has a molecular weight of 313.42 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 61259448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).