3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide

C25H34N2O5S — CID 100564145

IUPAC3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide
SMILESCCCc1ccc(OCCNC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1
InChIInChI=1S/C25H34N2O5S/c1-3-6-20-7-10-22(11-8-20)32-18-15-26-25(28)14-9-21-19-23(12-13-24(21)31-2)33(29,30)27-16-4-5-17-27/h7-8,10-13,19H,3-6,9,14-18H2,1-2H3,(H,26,28)
InChIKeyZYUMAOMTZUFZNH-UHFFFAOYSA-N
MW474.62 g/mol
LogP3.56
Rot. Bonds12

About 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide

3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide (PubChem CID 100564145) has the molecular formula C25H34N2O5S and a molecular weight of 474.62 g/mol. Its IUPAC name is 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide
PubChem CID100564145
Molecular FormulaC25H34N2O5S
Molecular Weight474.62 g/mol
Exact Mass474.22
IUPAC Name3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide
SMILESCCCc1ccc(OCCNC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1
InChIInChI=1S/C25H34N2O5S/c1-3-6-20-7-10-22(11-8-20)32-18-15-26-25(28)14-9-21-19-23(12-13-24(21)31-2)33(29,30)27-16-4-5-17-27/h7-8,10-13,19H,3-6,9,14-18H2,1-2H3,(H,26,28)
InChIKeyZYUMAOMTZUFZNH-UHFFFAOYSA-N
XLogP3.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100541707
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100624807
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 100619459
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 133265295
N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100542671
1-(4-methoxyphenyl)sulfonyl-N-[2-(4-propylphenoxy)ethyl]piperidine-3-carboxamide
CID 133164395
2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide
CID 100768401
4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 38000923
methyl 4-[3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate
CID 100566364

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide?
The IUPAC name of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide (CID 100564145) is 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide is CCCc1ccc(OCCNC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1.
What is the InChIKey of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide?
The InChIKey is ZYUMAOMTZUFZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5S/c1-3-6-20-7-10-22(11-8-20)32-18-15-26-25(28)14-9-21-19-23(12-13-24(21)31-2)33(29,30)27-16-4-5-17-27/h7-8,10-13,19H,3-6,9,14-18H2,1-2H3,(H,26,28).
What are the key properties of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide?
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide has a molecular weight of 474.62 g/mol, XLogP of 3.56, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide is sourced from PubChem (CID 100564145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).