2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H22N2O5S — CID 1015182

IUPAC2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-6-8-17(9-7-16)26-14-19(22)20-15-4-10-18(11-5-15)27(23,24)21-12-2-3-13-21/h4-11H,2-3,12-14H2,1H3,(H,20,22)
InChIKeyQTPXDVBULAKVOS-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.50
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1015182) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID1015182
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-6-8-17(9-7-16)26-14-19(22)20-15-4-10-18(11-5-15)27(23,24)21-12-2-3-13-21/h4-11H,2-3,12-14H2,1H3,(H,20,22)
InChIKeyQTPXDVBULAKVOS-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
Acetamide, N-(4-(aminosulfonyl)phenyl)-2-(4-chlorophenoxy)-
CID 151533
6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
CID 4916037
N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 3875813
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 4066620
2-(2-nitrophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4379333
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239
1-Phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60145776
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1010065

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 1015182) is 2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is QTPXDVBULAKVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-16-6-8-17(9-7-16)26-14-19(22)20-15-4-10-18(11-5-15)27(23,24)21-12-2-3-13-21/h4-11H,2-3,12-14H2,1H3,(H,20,22).
What are the key properties of 2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1015182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).