N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide

C23H39N3O4S — CID 71165939

IUPACN-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
SMILESCCN(CC)CCN(C)C(=O)COC[C@@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H39N3O4S/c1-7-25(8-2)13-12-24(6)22(27)17-30-16-21-10-9-11-26(21)31(28,29)23-19(4)14-18(3)15-20(23)5/h14-15,21H,7-13,16-17H2,1-6H3/t21-/m0/s1
InChIKeyJCMPULBGOAMXPJ-NRFANRHFSA-N
MW453.65 g/mol
LogP2.58
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide

N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide (PubChem CID 71165939) has the molecular formula C23H39N3O4S and a molecular weight of 453.65 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
PubChem CID71165939
Molecular FormulaC23H39N3O4S
Molecular Weight453.65 g/mol
Exact Mass453.27
IUPAC NameN-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
SMILESCCN(CC)CCN(C)C(=O)COC[C@@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H39N3O4S/c1-7-25(8-2)13-12-24(6)22(27)17-30-16-21-10-9-11-26(21)31(28,29)23-19(4)14-18(3)15-20(23)5/h14-15,21H,7-13,16-17H2,1-6H3/t21-/m0/s1
InChIKeyJCMPULBGOAMXPJ-NRFANRHFSA-N
XLogP2.58
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.65
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide 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-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
CID 78019142
N,N-bis[2-(diethylamino)ethyl]-2-[[2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]acetamide
CID 67455685
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
CID 68632976
N-[[4-(dimethylamino)phenyl]methyl]-2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-propan-2-ylacetamide
CID 67454704
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991169
butyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetate
CID 90986622
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid;2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetyl chloride
CID 160925171
N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide
CID 24945251
N-ethyl-N'-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829747
(3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 7441892
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 67454278

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide (CID 71165939) is N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide is CCN(CC)CCN(C)C(=O)COC[C@@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide?
The InChIKey is JCMPULBGOAMXPJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H39N3O4S/c1-7-25(8-2)13-12-24(6)22(27)17-30-16-21-10-9-11-26(21)31(28,29)23-19(4)14-18(3)15-20(23)5/h14-15,21H,7-13,16-17H2,1-6H3/t21-/m0/s1.
What are the key properties of N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide?
N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide has a molecular weight of 453.65 g/mol, XLogP of 2.58, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide is sourced from PubChem (CID 71165939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).