4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C28H33N3O5S — CID 25335595

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)cc2)cc1
InChIInChI=1S/C28H33N3O5S/c1-3-36-23-14-12-22(13-15-23)30-37(33,34)24-16-10-21(11-17-24)28(32)29-20-26(31-18-6-7-19-31)25-8-4-5-9-27(25)35-2/h4-5,8-17,26,30H,3,6-7,18-20H2,1-2H3,(H,29,32)/t26-/m0/s1
InChIKeyWLIMDFKZIHFJOQ-SANMLTNESA-N
MW523.66 g/mol
LogP4.46
Rot. Bonds11

About 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 25335595) has the molecular formula C28H33N3O5S and a molecular weight of 523.66 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID25335595
Molecular FormulaC28H33N3O5S
Molecular Weight523.66 g/mol
Exact Mass523.21
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)cc2)cc1
InChIInChI=1S/C28H33N3O5S/c1-3-36-23-14-12-22(13-15-23)30-37(33,34)24-16-10-21(11-17-24)28(32)29-20-26(31-18-6-7-19-31)25-8-4-5-9-27(25)35-2/h4-5,8-17,26,30H,3,6-7,18-20H2,1-2H3,(H,29,32)/t26-/m0/s1
InChIKeyWLIMDFKZIHFJOQ-SANMLTNESA-N
XLogP4.46
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]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

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24819717
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25335377
4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533875
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 25472628
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55352591
2-(4-ethoxyphenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112504054
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134025825
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55950109

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 25335595) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is WLIMDFKZIHFJOQ-SANMLTNESA-N. The full InChI is InChI=1S/C28H33N3O5S/c1-3-36-23-14-12-22(13-15-23)30-37(33,34)24-16-10-21(11-17-24)28(32)29-20-26(31-18-6-7-19-31)25-8-4-5-9-27(25)35-2/h4-5,8-17,26,30H,3,6-7,18-20H2,1-2H3,(H,29,32)/t26-/m0/s1.
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 523.66 g/mol, XLogP of 4.46, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 25335595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).