N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide

C15H19Cl2NOS — CID 100617931

IUPACN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCSCc1c(Cl)cccc1Cl)C1CCCC1
InChIInChI=1S/C15H19Cl2NOS/c16-13-6-3-7-14(17)12(13)10-20-9-8-18-15(19)11-4-1-2-5-11/h3,6-7,11H,1-2,4-5,8-10H2,(H,18,19)
InChIKeyWDIKYMFCAASWSA-UHFFFAOYSA-N
MW332.30 g/mol
LogP4.53
Rot. Bonds6

About N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide

N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide (PubChem CID 100617931) has the molecular formula C15H19Cl2NOS and a molecular weight of 332.30 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
PubChem CID100617931
Molecular FormulaC15H19Cl2NOS
Molecular Weight332.30 g/mol
Exact Mass331.06
IUPAC NameN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCSCc1c(Cl)cccc1Cl)C1CCCC1
InChIInChI=1S/C15H19Cl2NOS/c16-13-6-3-7-14(17)12(13)10-20-9-8-18-15(19)11-4-1-2-5-11/h3,6-7,11H,1-2,4-5,8-10H2,(H,18,19)
InChIKeyWDIKYMFCAASWSA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide (CID 100617931) is N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide is O=C(NCCSCc1c(Cl)cccc1Cl)C1CCCC1.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
The InChIKey is WDIKYMFCAASWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NOS/c16-13-6-3-7-14(17)12(13)10-20-9-8-18-15(19)11-4-1-2-5-11/h3,6-7,11H,1-2,4-5,8-10H2,(H,18,19).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
N-[2-[(2,6-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-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 100617931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).