N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide

C16H23ClN2O2S — CID 71867644

IUPACN-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide
SMILESCOC(CNC(=O)N1CCC(CSC)C1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O2S/c1-21-15(13-4-3-5-14(17)8-13)9-18-16(20)19-7-6-12(10-19)11-22-2/h3-5,8,12,15H,6-7,9-11H2,1-2H3,(H,18,20)
InChIKeyGDJCOZINEMHHTB-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide

N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide (PubChem CID 71867644) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide
PubChem CID71867644
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide
SMILESCOC(CNC(=O)N1CCC(CSC)C1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O2S/c1-21-15(13-4-3-5-14(17)8-13)9-18-16(20)19-7-6-12(10-19)11-22-2/h3-5,8,12,15H,6-7,9-11H2,1-2H3,(H,18,20)
InChIKeyGDJCOZINEMHHTB-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-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

N-[2-(3-chlorophenyl)-2-methylsulfanylethyl]-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 75379052
(2R)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 96999494
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807217
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508484
ethyl 1-[N-[2-(3-chlorophenyl)-2-methoxyethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 111499831
N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
CID 134068515
trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
CID 172583738
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119807219
1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 96566001

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide (CID 71867644) is N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide is COC(CNC(=O)N1CCC(CSC)C1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is GDJCOZINEMHHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c1-21-15(13-4-3-5-14(17)8-13)9-18-16(20)19-7-6-12(10-19)11-22-2/h3-5,8,12,15H,6-7,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide?
N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 342.89 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(methylsulfanylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71867644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).