2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide

C21H21N3O5S — CID 2280503

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H21N3O5S/c1-28-19-11-10-17(13-20(19)29-2)24(30(26,27)18-8-4-3-5-9-18)15-21(25)23-16-7-6-12-22-14-16/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyKUUJDYBZJUESGB-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.93
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide (PubChem CID 2280503) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide
PubChem CID2280503
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H21N3O5S/c1-28-19-11-10-17(13-20(19)29-2)24(30(26,27)18-8-4-3-5-9-18)15-21(25)23-16-7-6-12-22-14-16/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyKUUJDYBZJUESGB-UHFFFAOYSA-N
XLogP2.93
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-5-bromo-3-pyridyl)sulfonyl-methyl-amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 22516449
3,4-Dimethoxy-N-pyridin-3-yl-benzenesulfonamide
CID 778317
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-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-pyridin-3-ylacetamide
CID 1085660
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-(3-pyridinylmethyl)glycinamide
CID 815951
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1072969
2-{[(4-ethoxyphenyl)sulfonyl]phenylamino}-N-(3-pyridyl)acetamide
CID 1084914
2-[(4-Ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1085939
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide
CID 1281364
N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-(methylsulfonyl)-N~1~-(2-pyridinylmethyl)glycinamide
CID 2194631

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide (CID 2280503) is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide is COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide?
The InChIKey is KUUJDYBZJUESGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-28-19-11-10-17(13-20(19)29-2)24(30(26,27)18-8-4-3-5-9-18)15-21(25)23-16-7-6-12-22-14-16/h3-14H,15H2,1-2H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide?
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide has a molecular weight of 427.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 2280503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).