2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

C16H19N3O4S — CID 815951

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1cccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O4S/c1-23-15-7-3-6-14(9-15)19(24(2,21)22)12-16(20)18-11-13-5-4-8-17-10-13/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyHXZDMRYVLMBVSN-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.17
Rot. Bonds7

About 2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 815951) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID815951
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1cccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O4S/c1-23-15-7-3-6-14(9-15)19(24(2,21)22)12-16(20)18-11-13-5-4-8-17-10-13/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyHXZDMRYVLMBVSN-UHFFFAOYSA-N
XLogP1.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxybenzyl)-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3113974
N-(1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl)pyridine-3-sulfonamide
CID 16822419
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831
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-(3-methoxyanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 9724880
Ethanesulfonic acid (3-phenoxy-phenyl)-pyridin-3-ylmethyl-amide
CID 23521709
(R)-2-amino-N-(3-methoxy-4-(pyridin-4-yl)phenyl)-4-methylpentanamide
CID 117799755
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-pyridin-3-ylmethyl-acetamide
CID 651842
2-(2-methoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
CID 700335
2-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 700541
2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
CID 816069

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 815951) is 2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is COc1cccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HXZDMRYVLMBVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-15-7-3-6-14(9-15)19(24(2,21)22)12-16(20)18-11-13-5-4-8-17-10-13/h3-10H,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 815951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).