2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide

C18H23N3O4S — CID 11837026

IUPAC2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-14(2)11-21-26(23,24)17-5-3-16(4-6-17)25-13-18(22)20-12-15-7-9-19-10-8-15/h3-10,14,21H,11-13H2,1-2H3,(H,20,22)
InChIKeyLIWMNCWDRRWCEU-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.71
Rot. Bonds9

About 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide

2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 11837026) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID11837026
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-14(2)11-21-26(23,24)17-5-3-16(4-6-17)25-13-18(22)20-12-15-7-9-19-10-8-15/h3-10,14,21H,11-13H2,1-2H3,(H,20,22)
InChIKeyLIWMNCWDRRWCEU-UHFFFAOYSA-N
XLogP1.71
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282
N-(3,4-dichlorophenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126210637
N-[(2R)-butan-2-yl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126213893
N-(2-methylpropyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126119881
N-(3,5-dimethylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126204216
N-[(4-methylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 1319379
N-(4-methylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126212360
N-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 43873232
2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165464
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002
2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 28552672

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide (CID 11837026) is 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide is CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is LIWMNCWDRRWCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-14(2)11-21-26(23,24)17-5-3-16(4-6-17)25-13-18(22)20-12-15-7-9-19-10-8-15/h3-10,14,21H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 11837026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).