2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide

C16H19N3O4S — CID 166339242

IUPAC2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide
SMILESCc1ccncc1CNC(=O)COc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O4S/c1-12-7-8-17-9-13(12)10-18-16(20)11-23-15-5-3-14(4-6-15)19-24(2,21)22/h3-9,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyZPVDEIGXKYHLLR-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.46
Rot. Bonds7

About 2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide

2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide (PubChem CID 166339242) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide
PubChem CID166339242
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide
SMILESCc1ccncc1CNC(=O)COc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O4S/c1-12-7-8-17-9-13(12)10-18-16(20)11-23-15-5-3-14(4-6-15)19-24(2,21)22/h3-9,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyZPVDEIGXKYHLLR-UHFFFAOYSA-N
XLogP1.46
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea
CID 89489484
N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107036589
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methylidene-N-[(4-methyl-3-pyridinyl)methyl]butanamide
CID 166896229
2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl-[2-[4-(methanesulfonamido)phenyl]-2-oxoethyl]-dimethylazanium
CID 110171537
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282
1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114957408
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 27186819
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3943831
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 71156789
2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165464
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 30129310

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide (CID 166339242) is 2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide is Cc1ccncc1CNC(=O)COc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide?
The InChIKey is ZPVDEIGXKYHLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12-7-8-17-9-13(12)10-18-16(20)11-23-15-5-3-14(4-6-15)19-24(2,21)22/h3-9,19H,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide?
2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)phenoxy]-N-[(4-methyl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 166339242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).