N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide

C19H23N3O4S — CID 113057197

IUPACN-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23N3O4S/c1-15(23)22(17-7-5-4-6-8-17)14-13-20-19(24)16-9-11-18(12-10-16)27(25,26)21(2)3/h4-12H,13-14H2,1-3H3,(H,20,24)
InChIKeyBQCQFJCDISXVOT-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.72
Rot. Bonds7

About N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide

N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 113057197) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID113057197
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23N3O4S/c1-15(23)22(17-7-5-4-6-8-17)14-13-20-19(24)16-9-11-18(12-10-16)27(25,26)21(2)3/h4-12H,13-14H2,1-3H3,(H,20,24)
InChIKeyBQCQFJCDISXVOT-UHFFFAOYSA-N
XLogP1.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499587
N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide
CID 113057161
N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide
CID 7760850
N-benzyl-4-(dimethylsulfamoyl)-N-phenylbenzamide
CID 26731454
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716261
N-(2-acetamidoethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 9467905
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide (CID 113057197) is N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide is CC(=O)N(CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1.
What is the InChIKey of N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is BQCQFJCDISXVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-15(23)22(17-7-5-4-6-8-17)14-13-20-19(24)16-9-11-18(12-10-16)27(25,26)21(2)3/h4-12H,13-14H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide?
N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 113057197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).