3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide

C19H23N3O4S — CID 8623572

IUPAC3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
SMILESCCc1ccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-14-8-10-16(11-9-14)21-18(23)13-20-19(24)15-6-5-7-17(12-15)27(25,26)22(2)3/h5-12H,4,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyCDEGCEAEDRQGHO-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.87
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide

3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide (PubChem CID 8623572) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
PubChem CID8623572
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
SMILESCCc1ccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-14-8-10-16(11-9-14)21-18(23)13-20-19(24)15-6-5-7-17(12-15)27(25,26)22(2)3/h5-12H,4,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyCDEGCEAEDRQGHO-UHFFFAOYSA-N
XLogP1.87
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 9261099
N-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 4788124
3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide
CID 35508229
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-(dimethylsulfamoyl)-N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30873014
3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 24648924
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide (CID 8623572) is 3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide is CCc1ccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide?
The InChIKey is CDEGCEAEDRQGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-14-8-10-16(11-9-14)21-18(23)13-20-19(24)15-6-5-7-17(12-15)27(25,26)22(2)3/h5-12H,4,13H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 8623572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).