4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

C22H23N3O3S — CID 153331980

IUPAC4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-18-8-9-19(22(26)24-15-17-5-4-12-23-14-17)13-21(18)25-29(27,28)20-10-6-16(2)7-11-20/h4-14,25H,3,15H2,1-2H3,(H,24,26)
InChIKeyDNDWSZNYULMUOG-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.68
Rot. Bonds7

About 4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 153331980) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID153331980
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-18-8-9-19(22(26)24-15-17-5-4-12-23-14-17)13-21(18)25-29(27,28)20-10-6-16(2)7-11-20/h4-14,25H,3,15H2,1-2H3,(H,24,26)
InChIKeyDNDWSZNYULMUOG-UHFFFAOYSA-N
XLogP3.68
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 153331980) is 4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is CCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DNDWSZNYULMUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-18-8-9-19(22(26)24-15-17-5-4-12-23-14-17)13-21(18)25-29(27,28)20-10-6-16(2)7-11-20/h4-14,25H,3,15H2,1-2H3,(H,24,26).
What are the key properties of 4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 153331980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).