2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

C22H23N3O5S — CID 1075723

IUPAC2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2OC)cc1
InChIInChI=1S/C22H23N3O5S/c1-29-18-9-11-19(12-10-18)31(27,28)25(20-7-3-4-8-21(20)30-2)16-22(26)24-15-17-6-5-13-23-14-17/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyYOCIOBDZSYKILN-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.61
Rot. Bonds9

About 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1075723) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1075723
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2OC)cc1
InChIInChI=1S/C22H23N3O5S/c1-29-18-9-11-19(12-10-18)31(27,28)25(20-7-3-4-8-21(20)30-2)16-22(26)24-15-17-6-5-13-23-14-17/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyYOCIOBDZSYKILN-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280506
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-methylacetamide
CID 1310802
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 126413663
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 1129943
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 53280149
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
N-[(3-chlorophenyl)methyl]-2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 2695409
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51344682
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1336957
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243544
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 1075723) is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2OC)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is YOCIOBDZSYKILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-29-18-9-11-19(12-10-18)31(27,28)25(20-7-3-4-8-21(20)30-2)16-22(26)24-15-17-6-5-13-23-14-17/h3-14H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 441.51 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1075723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).