3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide

C18H23N3O5S — CID 113067429

IUPAC3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(Cc2ccncc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H23N3O5S/c1-25-16-5-4-15(12-17(16)26-2)18(22)20-10-11-21(27(3,23)24)13-14-6-8-19-9-7-14/h4-9,12H,10-11,13H2,1-3H3,(H,20,22)
InChIKeyQMHGEOFEQJWLCT-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.29
Rot. Bonds9

About 3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide

3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide (PubChem CID 113067429) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
PubChem CID113067429
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(Cc2ccncc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H23N3O5S/c1-25-16-5-4-15(12-17(16)26-2)18(22)20-10-11-21(27(3,23)24)13-14-6-8-19-9-7-14/h4-9,12H,10-11,13H2,1-3H3,(H,20,22)
InChIKeyQMHGEOFEQJWLCT-UHFFFAOYSA-N
XLogP1.29
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide 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

3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067425
3,4-dimethoxy-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068223
3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064982
N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide
CID 113151798
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113067406
3,4-dimethoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 99274260
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
CID 44819015
N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140115
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethoxybenzamide
CID 113071490
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide (CID 113067429) is 3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide is COc1ccc(C(=O)NCCN(Cc2ccncc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
The InChIKey is QMHGEOFEQJWLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-25-16-5-4-15(12-17(16)26-2)18(22)20-10-11-21(27(3,23)24)13-14-6-8-19-9-7-14/h4-9,12H,10-11,13H2,1-3H3,(H,20,22).
What are the key properties of 3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide has a molecular weight of 393.47 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide is sourced from PubChem (CID 113067429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).