2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

C16H19N3O4S — CID 23800742

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O4S/c1-23-15-8-6-14(7-9-15)19(24(2,21)22)12-16(20)18-11-13-5-3-4-10-17-13/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyFCRMXSNZXMDSPU-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.17
Rot. Bonds7

About 2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 23800742) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID23800742
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O4S/c1-23-15-8-6-14(7-9-15)19(24(2,21)22)12-16(20)18-11-13-5-3-4-10-17-13/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyFCRMXSNZXMDSPU-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

2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1118194
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 30265485
2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide
CID 50944930
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155200
3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144597
2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113155724
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1076312
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1318473
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 2878917
2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30220187

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 23800742) is 2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is FCRMXSNZXMDSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-15-8-6-14(7-9-15)19(24(2,21)22)12-16(20)18-11-13-5-3-4-10-17-13/h3-10H,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-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-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 23800742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).