N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C25H33N3O5S — CID 24544259

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)N2CCCC2)cc1
InChIInChI=1S/C25H33N3O5S/c1-32-21-10-6-19(7-11-21)24(28-14-2-3-15-28)18-26-25(29)20-8-12-23(13-9-20)34(30,31)27-17-22-5-4-16-33-22/h6-13,22,24,27H,2-5,14-18H2,1H3,(H,26,29)
InChIKeyIPMUMGNYIQPNKY-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.72
Rot. Bonds10

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24544259) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID24544259
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)N2CCCC2)cc1
InChIInChI=1S/C25H33N3O5S/c1-32-21-10-6-19(7-11-21)24(28-14-2-3-15-28)18-26-25(29)20-8-12-23(13-9-20)34(30,31)27-17-22-5-4-16-33-22/h6-13,22,24,27H,2-5,14-18H2,1H3,(H,26,29)
InChIKeyIPMUMGNYIQPNKY-UHFFFAOYSA-N
XLogP2.72
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42929558
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24544258
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 32707883
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 42937302
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
4-(1,3-dithiolan-2-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 26622606
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24640053
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 24544259) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is COc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is IPMUMGNYIQPNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-32-21-10-6-19(7-11-21)24(28-14-2-3-15-28)18-26-25(29)20-8-12-23(13-9-20)34(30,31)27-17-22-5-4-16-33-22/h6-13,22,24,27H,2-5,14-18H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 487.62 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24544259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).