3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide

C20H25N3O4S — CID 9219410

IUPAC3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C
InChIInChI=1S/C20H25N3O4S/c1-13(2)23-28(26,27)18-9-7-17(8-10-18)22-19(24)12-21-20(25)16-6-5-14(3)15(4)11-16/h5-11,13,23H,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyDQALNXUXBUEBHE-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.36
Rot. Bonds7

About 3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide

3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide (PubChem CID 9219410) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide
PubChem CID9219410
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C
InChIInChI=1S/C20H25N3O4S/c1-13(2)23-28(26,27)18-9-7-17(8-10-18)22-19(24)12-21-20(25)16-6-5-14(3)15(4)11-16/h5-11,13,23H,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyDQALNXUXBUEBHE-UHFFFAOYSA-N
XLogP2.36
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 18161684
N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9038896
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide
CID 60687796
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9032480
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide (CID 9219410) is 3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide?
The InChIKey is DQALNXUXBUEBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13(2)23-28(26,27)18-9-7-17(8-10-18)22-19(24)12-21-20(25)16-6-5-14(3)15(4)11-16/h5-11,13,23H,12H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide?
3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide is sourced from PubChem (CID 9219410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).