2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide

C24H27N3O5S — CID 22304785

IUPAC2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)c2c(C)cc(C)cc2NCC(=O)NCc2ccccn2)cc1OC
InChIInChI=1S/C24H27N3O5S/c1-16-11-17(2)24(33(29,30)19-8-9-21(31-3)22(13-19)32-4)20(12-16)26-15-23(28)27-14-18-7-5-6-10-25-18/h5-13,26H,14-15H2,1-4H3,(H,27,28)
InChIKeyGJBMHHWSKWEAOT-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.28
Rot. Bonds9

About 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide

2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 22304785) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID22304785
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)c2c(C)cc(C)cc2NCC(=O)NCc2ccccn2)cc1OC
InChIInChI=1S/C24H27N3O5S/c1-16-11-17(2)24(33(29,30)19-8-9-21(31-3)22(13-19)32-4)20(12-16)26-15-23(28)27-14-18-7-5-6-10-25-18/h5-13,26H,14-15H2,1-4H3,(H,27,28)
InChIKeyGJBMHHWSKWEAOT-UHFFFAOYSA-N
XLogP3.28
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxy-5-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999277
2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(2-ethylphenyl)acetamide
CID 22304013
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1076312
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999278
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567139
2-(2-ethylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999248
2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999257
2-(2,4-dimethoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110769817
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993044

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide (CID 22304785) is 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(S(=O)(=O)c2c(C)cc(C)cc2NCC(=O)NCc2ccccn2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GJBMHHWSKWEAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16-11-17(2)24(33(29,30)19-8-9-21(31-3)22(13-19)32-4)20(12-16)26-15-23(28)27-14-18-7-5-6-10-25-18/h5-13,26H,14-15H2,1-4H3,(H,27,28).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide?
2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 469.56 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 22304785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).