4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide

C22H28N2O6S — CID 38000923

IUPAC4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1
InChIInChI=1S/C22H28N2O6S/c1-28-17-7-9-18(10-8-17)30-15-5-6-22(25)23-20-16-19(11-12-21(20)29-2)31(26,27)24-13-3-4-14-24/h7-12,16H,3-6,13-15H2,1-2H3,(H,23,25)
InChIKeyPZIRUZGJSYDOHK-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.29
Rot. Bonds10

About 4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide

4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide (PubChem CID 38000923) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
PubChem CID38000923
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1
InChIInChI=1S/C22H28N2O6S/c1-28-17-7-9-18(10-8-17)30-15-5-6-22(25)23-20-16-19(11-12-21(20)29-2)31(26,27)24-13-3-4-14-24/h7-12,16H,3-6,13-15H2,1-2H3,(H,23,25)
InChIKeyPZIRUZGJSYDOHK-UHFFFAOYSA-N
XLogP3.29
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 4688141
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 100635331
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
N-(2-methoxy-5-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084118
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide (CID 38000923) is 4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide is COc1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is PZIRUZGJSYDOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-28-17-7-9-18(10-8-17)30-15-5-6-22(25)23-20-16-19(11-12-21(20)29-2)31(26,27)24-13-3-4-14-24/h7-12,16H,3-6,13-15H2,1-2H3,(H,23,25).
What are the key properties of 4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide?
4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 448.54 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 38000923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).