3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

C23H25N3O4S — CID 3618859

IUPAC3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cccnc2)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-17-5-11-21(12-6-17)31(28,29)26-22(19-7-9-20(30-2)10-8-19)14-23(27)25-16-18-4-3-13-24-15-18/h3-13,15,22,26H,14,16H2,1-2H3,(H,25,27)
InChIKeyXAEMBZKDCFBOET-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.12
Rot. Bonds9

About 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 3618859) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID3618859
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cccnc2)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-17-5-11-21(12-6-17)31(28,29)26-22(19-7-9-20(30-2)10-8-19)14-23(27)25-16-18-4-3-13-24-15-18/h3-13,15,22,26H,14,16H2,1-2H3,(H,25,27)
InChIKeyXAEMBZKDCFBOET-UHFFFAOYSA-N
XLogP3.12
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (CID 3618859) is 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(C(CC(=O)NCc2cccnc2)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is XAEMBZKDCFBOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-17-5-11-21(12-6-17)31(28,29)26-22(19-7-9-20(30-2)10-8-19)14-23(27)25-16-18-4-3-13-24-15-18/h3-13,15,22,26H,14,16H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 439.54 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 3618859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).