4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide

C20H24N2O4S — CID 9257617

IUPAC4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1C
InChIInChI=1S/C20H24N2O4S/c1-12-5-6-16(9-13(12)2)19(23)7-8-20(24)22-18-11-17(27(21,25)26)10-14(3)15(18)4/h5-6,9-11H,7-8H2,1-4H3,(H,22,24)(H2,21,25,26)
InChIKeyDSWYDBNZZMUFEF-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.17
Rot. Bonds6

About 4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide

4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide (PubChem CID 9257617) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide
PubChem CID9257617
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1C
InChIInChI=1S/C20H24N2O4S/c1-12-5-6-16(9-13(12)2)19(23)7-8-20(24)22-18-11-17(27(21,25)26)10-14(3)15(18)4/h5-6,9-11H,7-8H2,1-4H3,(H,22,24)(H2,21,25,26)
InChIKeyDSWYDBNZZMUFEF-UHFFFAOYSA-N
XLogP3.17
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538895
4-(3,4-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)-4-oxobutanamide
CID 108807985
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 9272793
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide
CID 9141472
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60848496
2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141313
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide
CID 55363866

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide (CID 9257617) is 4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide?
The InChIKey is DSWYDBNZZMUFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-12-5-6-16(9-13(12)2)19(23)7-8-20(24)22-18-11-17(27(21,25)26)10-14(3)15(18)4/h5-6,9-11H,7-8H2,1-4H3,(H,22,24)(H2,21,25,26).
What are the key properties of 4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide?
4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide has a molecular weight of 388.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide is sourced from PubChem (CID 9257617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).