4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide

C22H31N3O3S — CID 55725426

IUPAC4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
SMILESCCN(CCNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1C
InChIInChI=1S/C22H31N3O3S/c1-5-24(21-11-9-8-10-18(21)4)17-16-23-22(26)19-12-14-20(15-13-19)29(27,28)25(6-2)7-3/h8-15H,5-7,16-17H2,1-4H3,(H,23,26)
InChIKeyKHEJFYZVFZJDBE-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.28
Rot. Bonds10

About 4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide

4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide (PubChem CID 55725426) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
PubChem CID55725426
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
SMILESCCN(CCNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1C
InChIInChI=1S/C22H31N3O3S/c1-5-24(21-11-9-8-10-18(21)4)17-16-23-22(26)19-12-14-20(15-13-19)29(27,28)25(6-2)7-3/h8-15H,5-7,16-17H2,1-4H3,(H,23,26)
InChIKeyKHEJFYZVFZJDBE-UHFFFAOYSA-N
XLogP3.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 52608359
N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46478529
N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 46478628
3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide
CID 60571271
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
4-(diethylsulfamoyl)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]benzamide
CID 90552189
N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 46478570
2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide
CID 119037220
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807
4-(diethylsulfamoyl)-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111975
2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 55725310
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide
CID 46478751

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide (CID 55725426) is 4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide is CCN(CCNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1C.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide?
The InChIKey is KHEJFYZVFZJDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-5-24(21-11-9-8-10-18(21)4)17-16-23-22(26)19-12-14-20(15-13-19)29(27,28)25(6-2)7-3/h8-15H,5-7,16-17H2,1-4H3,(H,23,26).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide has a molecular weight of 417.58 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide is sourced from PubChem (CID 55725426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).