2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide

C23H25N3O5S — CID 1000896

IUPAC2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H25N3O5S/c1-17-4-7-20(8-5-17)32(28,29)26(21-14-19(30-2)6-9-22(21)31-3)16-23(27)25-15-18-10-12-24-13-11-18/h4-14H,15-16H2,1-3H3,(H,25,27)
InChIKeyVSCOIAJLULTJQV-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.92
Rot. Bonds9

About 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide

2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 1000896) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID1000896
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H25N3O5S/c1-17-4-7-20(8-5-17)32(28,29)26(21-14-19(30-2)6-9-22(21)31-3)16-23(27)25-15-18-10-12-24-13-11-18/h4-14H,15-16H2,1-3H3,(H,25,27)
InChIKeyVSCOIAJLULTJQV-UHFFFAOYSA-N
XLogP2.92
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
2-[(2,5-Dimethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1143318
2-[(2,5-Dimethoxy-phenyl)-methanesulfonyl-amino]-N-pyridin-3-yl-acetamide
CID 1145331
2-((2-Methoxy-benzenesulfonyl)-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-amino)-acetamide
CID 44274987
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-(3-pyridinylmethyl)glycinamide
CID 815951
2-[(4-Ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1085939
Cambridge id 6392977
CID 1137097
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-(4-pyridin-4-ylmethyl-phenyl)-acetamide
CID 1166448
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide
CID 1266229
2-(4-{[(2-methylphenyl)amino]sulfonyl}phenoxy)-N-(2-pyridinylmethyl)acetamide
CID 2222616
2-{4-[(4-methylphenyl)sulfamoyl]phenoxy}-N-(pyridin-2-ylmethyl)acetamide
CID 2712261
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 3144151

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 1000896) is 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide is COc1ccc(OC)c(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is VSCOIAJLULTJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-17-4-7-20(8-5-17)32(28,29)26(21-14-19(30-2)6-9-22(21)31-3)16-23(27)25-15-18-10-12-24-13-11-18/h4-14H,15-16H2,1-3H3,(H,25,27).
What are the key properties of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 455.54 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 1000896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).