4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C20H24N2O4S — CID 27538895

IUPAC4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-14-3-6-17(13-15(14)2)19(23)9-10-20(24)22-12-11-16-4-7-18(8-5-16)27(21,25)26/h3-8,13H,9-12H2,1-2H3,(H,22,24)(H2,21,25,26)
InChIKeyLUQCJRRPEBONJF-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.27
Rot. Bonds8

About 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 27538895) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID27538895
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-14-3-6-17(13-15(14)2)19(23)9-10-20(24)22-12-11-16-4-7-18(8-5-16)27(21,25)26/h3-8,13H,9-12H2,1-2H3,(H,22,24)(H2,21,25,26)
InChIKeyLUQCJRRPEBONJF-UHFFFAOYSA-N
XLogP2.27
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 24634981
4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538363
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627
4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide
CID 9257617
3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027647
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1346453

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 27538895) is 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is Cc1ccc(C(=O)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is LUQCJRRPEBONJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-3-6-17(13-15(14)2)19(23)9-10-20(24)22-12-11-16-4-7-18(8-5-16)27(21,25)26/h3-8,13H,9-12H2,1-2H3,(H,22,24)(H2,21,25,26).
What are the key properties of 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 388.49 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 27538895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).