2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide

C16H19N3O4S — CID 22300398

IUPAC2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide
SMILESCCOc1ccc(CS(=O)(=O)NCC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-2-23-15-7-5-13(6-8-15)12-24(21,22)18-11-16(20)19-14-4-3-9-17-10-14/h3-10,18H,2,11-12H2,1H3,(H,19,20)
InChIKeyVGRKBAXTDAFYHI-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.54
Rot. Bonds8

About 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide

2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide (PubChem CID 22300398) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide
PubChem CID22300398
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide
SMILESCCOc1ccc(CS(=O)(=O)NCC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-2-23-15-7-5-13(6-8-15)12-24(21,22)18-11-16(20)19-14-4-3-9-17-10-14/h3-10,18H,2,11-12H2,1H3,(H,19,20)
InChIKeyVGRKBAXTDAFYHI-UHFFFAOYSA-N
XLogP1.54
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide 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

2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 22300310
2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 22299884
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25043088
5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68847824
ethyl N-[(pyridin-3-ylamino)methylsulfonyl]carbamate
CID 166523111
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 649387
2-[(4-chlorophenyl)methylsulfonylamino]-N-phenylacetamide
CID 51711268
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide
CID 22299888

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide (CID 22300398) is 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide is CCOc1ccc(CS(=O)(=O)NCC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide?
The InChIKey is VGRKBAXTDAFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-2-23-15-7-5-13(6-8-15)12-24(21,22)18-11-16(20)19-14-4-3-9-17-10-14/h3-10,18H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide?
2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide has a molecular weight of 349.41 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 22300398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).