2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide

C22H23N3O6S — CID 90051595

IUPAC2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccncc2)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H23N3O6S/c1-29-17-4-7-19(8-5-17)32(27,28)25(15-22(26)24-16-10-12-23-13-11-16)20-14-18(30-2)6-9-21(20)31-3/h4-14H,15H2,1-3H3,(H,23,24,26)
InChIKeyFINTXCCHJYVXMV-UHFFFAOYSA-N
MW457.51 g/mol
LogP2.94
Rot. Bonds9

About 2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide

2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide (PubChem CID 90051595) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide
PubChem CID90051595
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC Name2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccncc2)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H23N3O6S/c1-29-17-4-7-19(8-5-17)32(27,28)25(15-22(26)24-16-10-12-23-13-11-16)20-14-18(30-2)6-9-21(20)31-3/h4-14H,15H2,1-3H3,(H,23,24,26)
InChIKeyFINTXCCHJYVXMV-UHFFFAOYSA-N
XLogP2.94
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280522
N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126188033
N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215347
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881187
N-(3,5-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 23911004
N-(3-chlorophenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126031125
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43880945
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21371919
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide
CID 1072216
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 30170549
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51344352

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide (CID 90051595) is 2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccncc2)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide?
The InChIKey is FINTXCCHJYVXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S/c1-29-17-4-7-19(8-5-17)32(27,28)25(15-22(26)24-16-10-12-23-13-11-16)20-14-18(30-2)6-9-21(20)31-3/h4-14H,15H2,1-3H3,(H,23,24,26).
What are the key properties of 2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide?
2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide has a molecular weight of 457.51 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 90051595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).