3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide

C18H23N3O5S — CID 113067425

IUPAC3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(Cc2ccncc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H23N3O5S/c1-25-16-10-15(11-17(12-16)26-2)18(22)20-8-9-21(27(3,23)24)13-14-4-6-19-7-5-14/h4-7,10-12H,8-9,13H2,1-3H3,(H,20,22)
InChIKeyUJCDWZQVFYZMQN-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.29
Rot. Bonds9

About 3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide

3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide (PubChem CID 113067425) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
PubChem CID113067425
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(Cc2ccncc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H23N3O5S/c1-25-16-10-15(11-17(12-16)26-2)18(22)20-8-9-21(27(3,23)24)13-14-4-6-19-7-5-14/h4-7,10-12H,8-9,13H2,1-3H3,(H,20,22)
InChIKeyUJCDWZQVFYZMQN-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 3,5-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

3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067429
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113067406
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 113055017
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide
CID 113067409
N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113069746
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113067436
N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140115
4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066639

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide (CID 113067425) is 3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCN(Cc2ccncc2)S(C)(=O)=O)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
The InChIKey is UJCDWZQVFYZMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-25-16-10-15(11-17(12-16)26-2)18(22)20-8-9-21(27(3,23)24)13-14-4-6-19-7-5-14/h4-7,10-12H,8-9,13H2,1-3H3,(H,20,22).
What are the key properties of 3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
3,5-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 3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide is sourced from PubChem (CID 113067425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).