2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

C17H21N3O5S — CID 1137097

IUPAC2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O5S/c1-24-14-7-8-16(25-2)15(10-14)20(26(3,22)23)12-17(21)19-11-13-6-4-5-9-18-13/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyQHYSBCXUDPWTFX-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.18
Rot. Bonds8

About 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 1137097) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID1137097
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O5S/c1-24-14-7-8-16(25-2)15(10-14)20(26(3,22)23)12-17(21)19-11-13-6-4-5-9-18-13/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyQHYSBCXUDPWTFX-UHFFFAOYSA-N
XLogP1.18
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.18
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
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
N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-(methylsulfonyl)-N~1~-(2-pyridinylmethyl)glycinamide
CID 2194631
2-[Methanesulfonyl-(3-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide
CID 3144121
N-(2,5-dimethoxyphenyl)-2-pyrrol-1-ylacetamide
CID 3244489

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 1137097) is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(OC)c(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is QHYSBCXUDPWTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-24-14-7-8-16(25-2)15(10-14)20(26(3,22)23)12-17(21)19-11-13-6-4-5-9-18-13/h4-10H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 1.18, 8 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-2-ylmethyl)acetamide is sourced from PubChem (CID 1137097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).