N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C26H35N3O5S — CID 24684527

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C26H35N3O5S/c1-19-9-8-10-24(21(19)3)27-25(30)18-28(15-16-34-4)26(31)23-17-22(12-11-20(23)2)35(32,33)29-13-6-5-7-14-29/h8-12,17H,5-7,13-16,18H2,1-4H3,(H,27,30)
InChIKeyFHEKINCGFXVETI-UHFFFAOYSA-N
MW501.65 g/mol
LogP3.51
Rot. Bonds9

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 24684527) has the molecular formula C26H35N3O5S and a molecular weight of 501.65 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID24684527
Molecular FormulaC26H35N3O5S
Molecular Weight501.65 g/mol
Exact Mass501.23
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C26H35N3O5S/c1-19-9-8-10-24(21(19)3)27-25(30)18-28(15-16-34-4)26(31)23-17-22(12-11-20(23)2)35(32,33)29-13-6-5-7-14-29/h8-12,17H,5-7,13-16,18H2,1-4H3,(H,27,30)
InChIKeyFHEKINCGFXVETI-UHFFFAOYSA-N
XLogP3.51
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.65
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 99144006
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 29200072
2-[bis(2-methoxyethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 43031214
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
CID 55347248
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 55329981
4-(azepan-1-ylsulfonyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 24817036
N-(2,3-dimethylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9195592
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557091
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 24684527) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is FHEKINCGFXVETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5S/c1-19-9-8-10-24(21(19)3)27-25(30)18-28(15-16-34-4)26(31)23-17-22(12-11-20(23)2)35(32,33)29-13-6-5-7-14-29/h8-12,17H,5-7,13-16,18H2,1-4H3,(H,27,30).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 501.65 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24684527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).