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

C22H23N3O5S — CID 42111351

IUPACN-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(OC)cc2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C22H23N3O5S/c1-29-19-9-5-17(6-10-19)15-25(31(27,28)21-4-3-13-23-14-21)16-22(26)24-18-7-11-20(30-2)12-8-18/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyICHHCQZEMSNWDX-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.93
Rot. Bonds9

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

N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide (PubChem CID 42111351) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide
PubChem CID42111351
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(OC)cc2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C22H23N3O5S/c1-29-19-9-5-17(6-10-19)15-25(31(27,28)21-4-3-13-23-14-21)16-22(26)24-18-7-11-20(30-2)12-8-18/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyICHHCQZEMSNWDX-UHFFFAOYSA-N
XLogP2.93
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111350
2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111340
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide
CID 42111354
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 3474931
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126009467
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 113151269
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide (CID 42111351) is N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide is COc1ccc(CN(CC(=O)Nc2ccc(OC)cc2)S(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide?
The InChIKey is ICHHCQZEMSNWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-29-19-9-5-17(6-10-19)15-25(31(27,28)21-4-3-13-23-14-21)16-22(26)24-18-7-11-20(30-2)12-8-18/h3-14H,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide?
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide has a molecular weight of 441.51 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide is sourced from PubChem (CID 42111351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).