N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide

C21H24N2O4S — CID 24646324

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C21H24N2O4S/c1-14-6-7-15(2)19(12-14)20(24)10-11-21(25)22-17-4-3-5-18(13-17)28(26,27)23-16-8-9-16/h3-7,12-13,16,23H,8-11H2,1-2H3,(H,22,25)
InChIKeyZCVSWNSFKPDING-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.35
Rot. Bonds8

About N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide

N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide (PubChem CID 24646324) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
PubChem CID24646324
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C21H24N2O4S/c1-14-6-7-15(2)19(12-14)20(24)10-11-21(25)22-17-4-3-5-18(13-17)28(26,27)23-16-8-9-16/h3-7,12-13,16,23H,8-11H2,1-2H3,(H,22,25)
InChIKeyZCVSWNSFKPDING-UHFFFAOYSA-N
XLogP3.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylphenyl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 9415015
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 38140750
N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24655241
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718564
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 43347060
4-(2,5-dimethylphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 9107182
4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide
CID 24582386
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037721
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010
[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679348

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide (CID 24646324) is N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The InChIKey is ZCVSWNSFKPDING-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14-6-7-15(2)19(12-14)20(24)10-11-21(25)22-17-4-3-5-18(13-17)28(26,27)23-16-8-9-16/h3-7,12-13,16,23H,8-11H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide has a molecular weight of 400.50 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 24646324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).