4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide

C13H21N3O3S — CID 60841151

IUPAC4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C13H21N3O3S/c1-10-6-7-11(20(18,19)15-3)9-12(10)16-13(17)5-4-8-14-2/h6-7,9,14-15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyIGJUPHMJZHGBBB-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.84
Rot. Bonds7

About 4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide

4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide (PubChem CID 60841151) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
PubChem CID60841151
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C13H21N3O3S/c1-10-6-7-11(20(18,19)15-3)9-12(10)16-13(17)5-4-8-14-2/h6-7,9,14-15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyIGJUPHMJZHGBBB-UHFFFAOYSA-N
XLogP0.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.84
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

4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
N-methyl-N-[2-[2-methyl-5-(methylsulfamoyl)anilino]-2-oxoethyl]prop-2-enamide
CID 167971518
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100790294
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 107908940

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide (CID 60841151) is 4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide is CNCCCC(=O)Nc1cc(S(=O)(=O)NC)ccc1C.
What is the InChIKey of 4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is IGJUPHMJZHGBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-6-7-11(20(18,19)15-3)9-12(10)16-13(17)5-4-8-14-2/h6-7,9,14-15H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide?
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide has a molecular weight of 299.40 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 60841151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).