2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide

C27H38N4O6S — CID 90869385

IUPAC2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1cc(C(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(S(=O)(=O)NN2CCOCC2)cc1OC
InChIInChI=1S/C27H38N4O6S/c1-20(27(32)28-19-23(30-11-7-8-12-30)21-9-5-4-6-10-21)22-17-24(35-2)25(36-3)18-26(22)38(33,34)29-31-13-15-37-16-14-31/h4-6,9-10,17-18,20,23,29H,7-8,11-16,19H2,1-3H3,(H,28,32)/t20?,23-/m0/s1
InChIKeyYLMZHDXDUAUKJW-AKRCKQFNSA-N
MW546.69 g/mol
LogP2.29
Rot. Bonds11

About 2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide

2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 90869385) has the molecular formula C27H38N4O6S and a molecular weight of 546.69 g/mol. Its IUPAC name is 2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID90869385
Molecular FormulaC27H38N4O6S
Molecular Weight546.69 g/mol
Exact Mass546.25
IUPAC Name2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1cc(C(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(S(=O)(=O)NN2CCOCC2)cc1OC
InChIInChI=1S/C27H38N4O6S/c1-20(27(32)28-19-23(30-11-7-8-12-30)21-9-5-4-6-10-21)22-17-24(35-2)25(36-3)18-26(22)38(33,34)29-31-13-15-37-16-14-31/h4-6,9-10,17-18,20,23,29H,7-8,11-16,19H2,1-3H3,(H,28,32)/t20?,23-/m0/s1
InChIKeyYLMZHDXDUAUKJW-AKRCKQFNSA-N
XLogP2.29
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.69
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide 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

(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119849317
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179547
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24647913
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide
CID 91196172
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide
CID 24624985

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide (CID 90869385) is 2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide is COc1cc(C(C)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(S(=O)(=O)NN2CCOCC2)cc1OC.
What is the InChIKey of 2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is YLMZHDXDUAUKJW-AKRCKQFNSA-N. The full InChI is InChI=1S/C27H38N4O6S/c1-20(27(32)28-19-23(30-11-7-8-12-30)21-9-5-4-6-10-21)22-17-24(35-2)25(36-3)18-26(22)38(33,34)29-31-13-15-37-16-14-31/h4-6,9-10,17-18,20,23,29H,7-8,11-16,19H2,1-3H3,(H,28,32)/t20?,23-/m0/s1.
What are the key properties of 2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide?
2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 546.69 g/mol, XLogP of 2.29, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethoxy-2-(morpholin-4-ylsulfamoyl)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 90869385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).