3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide

C22H23N3O4S — CID 139390939

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1
InChIInChI=1S/C22H23N3O4S/c1-3-29-19-8-10-20(11-9-19)30(27,28)25-21-13-18(7-6-16(21)2)22(26)24-15-17-5-4-12-23-14-17/h4-14,25H,3,15H2,1-2H3,(H,24,26)
InChIKeyHYFKNPNDMBXTGR-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.52
Rot. Bonds8

About 3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide

3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139390939) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139390939
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1
InChIInChI=1S/C22H23N3O4S/c1-3-29-19-8-10-20(11-9-19)30(27,28)25-21-13-18(7-6-16(21)2)22(26)24-15-17-5-4-12-23-14-17/h4-14,25H,3,15H2,1-2H3,(H,24,26)
InChIKeyHYFKNPNDMBXTGR-UHFFFAOYSA-N
XLogP3.52
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 139390939) is 3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2C)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is HYFKNPNDMBXTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-3-29-19-8-10-20(11-9-19)30(27,28)25-21-13-18(7-6-16(21)2)22(26)24-15-17-5-4-12-23-14-17/h4-14,25H,3,15H2,1-2H3,(H,24,26).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 425.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139390939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).