2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide

C14H18Cl2N2OS — CID 119551541

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)CSCc1ccc(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C14H18Cl2N2OS/c1-18(12-4-5-17-7-12)14(19)9-20-8-10-2-3-11(15)6-13(10)16/h2-3,6,12,17H,4-5,7-9H2,1H3
InChIKeyCDGYIFPZBMZHSG-UHFFFAOYSA-N
MW333.28 g/mol
LogP3.05
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119551541) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID119551541
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)CSCc1ccc(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C14H18Cl2N2OS/c1-18(12-4-5-17-7-12)14(19)9-20-8-10-2-3-11(15)6-13(10)16/h2-3,6,12,17H,4-5,7-9H2,1H3
InChIKeyCDGYIFPZBMZHSG-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451069
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-methylamino]acetic acid
CID 119172113
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666
N-(1-aminopropan-2-yl)-2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methylacetamide
CID 119582608
1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119554673
ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]acetate
CID 5128433
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine
CID 63301823
N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11602353
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 91647284
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550666

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide (CID 119551541) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide is CN(C(=O)CSCc1ccc(Cl)cc1Cl)C1CCNC1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is CDGYIFPZBMZHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS/c1-18(12-4-5-17-7-12)14(19)9-20-8-10-2-3-11(15)6-13(10)16/h2-3,6,12,17H,4-5,7-9H2,1H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide?
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 333.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119551541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).