2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide

C21H21N3O4S — CID 42111350

IUPAC2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-28-19-11-9-17(10-12-19)15-24(29(26,27)20-8-5-13-22-14-20)16-21(25)23-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,23,25)
InChIKeyUEHMEYRYSMLWIG-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.92
Rot. Bonds8

About 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide

2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide (PubChem CID 42111350) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
PubChem CID42111350
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-28-19-11-9-17(10-12-19)15-24(29(26,27)20-8-5-13-22-14-20)16-21(25)23-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,23,25)
InChIKeyUEHMEYRYSMLWIG-UHFFFAOYSA-N
XLogP2.92
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide
CID 42111351
2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111340
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide
CID 42111354
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407
2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 3202163
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide
CID 2521158
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43907781
2-[(4-methoxyphenyl)methyl-[4-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide
CID 98104564
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 3474931

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide (CID 42111350) is 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide is COc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide?
The InChIKey is UEHMEYRYSMLWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-28-19-11-9-17(10-12-19)15-24(29(26,27)20-8-5-13-22-14-20)16-21(25)23-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,23,25).
What are the key properties of 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide?
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide has a molecular weight of 411.48 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide is sourced from PubChem (CID 42111350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).