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

C22H23N3O4S — CID 42111354

IUPAC2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(CN(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-24(19-7-4-3-5-8-19)22(26)17-25(16-18-10-12-20(29-2)13-11-18)30(27,28)21-9-6-14-23-15-21/h3-15H,16-17H2,1-2H3
InChIKeySUMMSEOEJVHUBL-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.94
Rot. Bonds8

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

2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide (PubChem CID 42111354) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide
PubChem CID42111354
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(CN(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-24(19-7-4-3-5-8-19)22(26)17-25(16-18-10-12-20(29-2)13-11-18)30(27,28)21-9-6-14-23-15-21/h3-15H,16-17H2,1-2H3
InChIKeySUMMSEOEJVHUBL-UHFFFAOYSA-N
XLogP2.94
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111350
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide
CID 42111351
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100791352
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100791349
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794075
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide
CID 113152304
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
CID 146131927
2-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111340
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100792531
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797990

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide (CID 42111354) is 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide is COc1ccc(CN(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide?
The InChIKey is SUMMSEOEJVHUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-24(19-7-4-3-5-8-19)22(26)17-25(16-18-10-12-20(29-2)13-11-18)30(27,28)21-9-6-14-23-15-21/h3-15H,16-17H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide?
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide has a molecular weight of 425.51 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 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-methyl-N-phenylacetamide is sourced from PubChem (CID 42111354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).