2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

C17H21N3O5S — CID 22300495

IUPAC2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(CS(=O)(=O)NCC(=O)NCc2cccnc2)c(OC)c1
InChIInChI=1S/C17H21N3O5S/c1-24-15-6-5-14(16(8-15)25-2)12-26(22,23)20-11-17(21)19-10-13-4-3-7-18-9-13/h3-9,20H,10-12H2,1-2H3,(H,19,21)
InChIKeyDFWFYCKSIXLUKB-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.83
Rot. Bonds9

About 2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 22300495) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID22300495
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(CS(=O)(=O)NCC(=O)NCc2cccnc2)c(OC)c1
InChIInChI=1S/C17H21N3O5S/c1-24-15-6-5-14(16(8-15)25-2)12-26(22,23)20-11-17(21)19-10-13-4-3-7-18-9-13/h3-9,20H,10-12H2,1-2H3,(H,19,21)
InChIKeyDFWFYCKSIXLUKB-UHFFFAOYSA-N
XLogP0.83
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 21156621
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 91831148
1-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 763140
2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 51097476
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1210518
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1075723
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085
2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110767628

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 22300495) is 2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(CS(=O)(=O)NCC(=O)NCc2cccnc2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is DFWFYCKSIXLUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-24-15-6-5-14(16(8-15)25-2)12-26(22,23)20-11-17(21)19-10-13-4-3-7-18-9-13/h3-9,20H,10-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 22300495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).