2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide

C16H19N3O5S — CID 1145331

IUPAC2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O5S/c1-23-13-6-7-15(24-2)14(9-13)19(25(3,21)22)11-16(20)18-12-5-4-8-17-10-12/h4-10H,11H2,1-3H3,(H,18,20)
InChIKeyPLHKLELKFFWDQR-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.50
Rot. Bonds7

About 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide (PubChem CID 1145331) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
PubChem CID1145331
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O5S/c1-23-13-6-7-15(24-2)14(9-13)19(25(3,21)22)11-16(20)18-12-5-4-8-17-10-12/h4-10H,11H2,1-3H3,(H,18,20)
InChIKeyPLHKLELKFFWDQR-UHFFFAOYSA-N
XLogP1.50
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.50
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
1-(2,5-Dimethoxyphenyl)-3-pyridin-3-ylurea
CID 16354657
2-(2-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
CID 700335
2-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 700541
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-(3-pyridinylmethyl)glycinamide
CID 815951
2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
CID 816069
2-{2,5-dimethoxy[(4-methylphenyl)sulfonyl]anilino}-N-(pyridin-4-ylmethyl)acetamide
CID 1000896
Cambridge id 6392977
CID 1137097
N~2~-1,3-benzodioxol-5-yl-N~2~-(methylsulfonyl)-N~1~-3-pyridinylglycinamide
CID 2227030
2-[Methanesulfonyl-(3-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide
CID 3144121
N-(2,5-dimethoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide
CID 3241935

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide (CID 1145331) is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide is COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is PLHKLELKFFWDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-23-13-6-7-15(24-2)14(9-13)19(25(3,21)22)11-16(20)18-12-5-4-8-17-10-12/h4-10H,11H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide?
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide has a molecular weight of 365.41 g/mol, XLogP of 1.50, 7 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-methylsulfonylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1145331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).