N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

C24H32N2O4S — CID 55920395

IUPACN-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CCCNC(=O)C2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H32N2O4S/c1-17-15-18(2)23(19(3)16-17)31(28,29)26-14-6-8-22(26)24(27)25-13-5-7-20-9-11-21(30-4)12-10-20/h9-12,15-16,22H,5-8,13-14H2,1-4H3,(H,25,27)
InChIKeyRKMHJCUXRWQAGY-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.52
Rot. Bonds8

About N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 55920395) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID55920395
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CCCNC(=O)C2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H32N2O4S/c1-17-15-18(2)23(19(3)16-17)31(28,29)26-14-6-8-22(26)24(27)25-13-5-7-20-9-11-21(30-4)12-10-20/h9-12,15-16,22H,5-8,13-14H2,1-4H3,(H,25,27)
InChIKeyRKMHJCUXRWQAGY-UHFFFAOYSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide 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

1-(5-methoxy-2-methylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43888306
N-(2,5-dimethoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46516965
2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetic acid
CID 119171222
(2S)-N-[(2-methoxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30389661
1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 43888284
N-(3-aminobutyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 119496180
N-(3-aminobutyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119496179
[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 46517279
1-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24663628
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24619724
(2S)-N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 37269038
N-[(2-methylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46517881

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 55920395) is N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(CCCNC(=O)C2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is RKMHJCUXRWQAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-17-15-18(2)23(19(3)16-17)31(28,29)26-14-6-8-22(26)24(27)25-13-5-7-20-9-11-21(30-4)12-10-20/h9-12,15-16,22H,5-8,13-14H2,1-4H3,(H,25,27).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55920395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).