4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C20H24N2O4S — CID 24634981

IUPAC4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-15-3-7-17(8-4-15)19(23)11-12-20(24)22-14-13-16-5-9-18(10-6-16)27(21,25)26/h3-10H,2,11-14H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyWBTIASXNPYKBLY-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.22
Rot. Bonds9

About 4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 24634981) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID24634981
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-15-3-7-17(8-4-15)19(23)11-12-20(24)22-14-13-16-5-9-18(10-6-16)27(21,25)26/h3-10H,2,11-14H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyWBTIASXNPYKBLY-UHFFFAOYSA-N
XLogP2.22
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538363
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538895
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027692
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 94041532

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 24634981) is 4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is CCc1ccc(C(=O)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is WBTIASXNPYKBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-15-3-7-17(8-4-15)19(23)11-12-20(24)22-14-13-16-5-9-18(10-6-16)27(21,25)26/h3-10H,2,11-14H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of 4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 388.49 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 24634981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).