N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide

C15H19Cl2NOS — CID 100621291

IUPACN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCSCc1ccc(Cl)cc1Cl)C1CCCC1
InChIInChI=1S/C15H19Cl2NOS/c16-13-6-5-12(14(17)9-13)10-20-8-7-18-15(19)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10H2,(H,18,19)
InChIKeyYKNGIAXWBKMWAM-UHFFFAOYSA-N
MW332.30 g/mol
LogP4.53
Rot. Bonds6

About N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide

N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide (PubChem CID 100621291) has the molecular formula C15H19Cl2NOS and a molecular weight of 332.30 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
PubChem CID100621291
Molecular FormulaC15H19Cl2NOS
Molecular Weight332.30 g/mol
Exact Mass331.06
IUPAC NameN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCSCc1ccc(Cl)cc1Cl)C1CCCC1
InChIInChI=1S/C15H19Cl2NOS/c16-13-6-5-12(14(17)9-13)10-20-8-7-18-15(19)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10H2,(H,18,19)
InChIKeyYKNGIAXWBKMWAM-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 91647284
1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea
CID 100744347
(3S)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125042724
1-[(3,4-dichlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 43922594
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 132613319
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
CID 100773197
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122009024
1-[(2,4-dichlorophenyl)methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 43922665
(3R)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 98054404
4-N-cyclopropyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109144732
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide
CID 100554672
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide (CID 100621291) is N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide is O=C(NCCSCc1ccc(Cl)cc1Cl)C1CCCC1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
The InChIKey is YKNGIAXWBKMWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NOS/c16-13-6-5-12(14(17)9-13)10-20-8-7-18-15(19)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10H2,(H,18,19).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide has a molecular weight of 332.30 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 100621291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).