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

C18H28N2O5S — CID 2966547

IUPAC2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCC1CCCO1
InChIInChI=1S/C18H28N2O5S/c1-13(2)10-20-26(22,23)16-6-7-17(14(3)9-16)25-12-18(21)19-11-15-5-4-8-24-15/h6-7,9,13,15,20H,4-5,8,10-12H2,1-3H3,(H,19,21)
InChIKeyZHLUNAOPMILKMJ-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.60
Rot. Bonds9

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

2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2966547) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2966547
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCC1CCCO1
InChIInChI=1S/C18H28N2O5S/c1-13(2)10-20-26(22,23)16-6-7-17(14(3)9-16)25-12-18(21)19-11-15-5-4-8-24-15/h6-7,9,13,15,20H,4-5,8,10-12H2,1-3H3,(H,19,21)
InChIKeyZHLUNAOPMILKMJ-UHFFFAOYSA-N
XLogP1.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
N-[2-(4-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084089
N-(4-methoxybenzyl)-2-[4-(piperidin-1-ylsulfonyl)phenoxy]acetamide
CID 1252432
4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-N-(2-phenylethyl)benzenesulfonamide
CID 1314518
N-(4-methylbenzyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 1319379
N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2111388
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 2215724
4-{[2-Methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]acetyl}morpholine
CID 2226440
1-[(4-methoxyphenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2925242
N-sec-Butyl-4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-benzenesulfonamide
CID 2949509
N~2~-benzyl-N~2~-[(4-methoxy-3-methylphenyl)sulfonyl]-N-(tetrahydrofuran-2-ylmethyl)glycinamide
CID 2962989

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 2966547) is 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCC1CCCO1.
What is the InChIKey of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ZHLUNAOPMILKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-13(2)10-20-26(22,23)16-6-7-17(14(3)9-16)25-12-18(21)19-11-15-5-4-8-24-15/h6-7,9,13,15,20H,4-5,8,10-12H2,1-3H3,(H,19,21).
What are the key properties of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 384.50 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2966547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).