2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide

C14H17Cl2NOS — CID 94101556

IUPAC2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide
SMILESO=C(NCCSC1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NOS/c15-10-5-6-12(13(16)9-10)14(18)17-7-8-19-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2,(H,17,18)
InChIKeyLYFNTIDJSWGNHA-UHFFFAOYSA-N
MW318.27 g/mol
LogP4.40
Rot. Bonds5

About 2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide

2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide (PubChem CID 94101556) has the molecular formula C14H17Cl2NOS and a molecular weight of 318.27 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide
PubChem CID94101556
Molecular FormulaC14H17Cl2NOS
Molecular Weight318.27 g/mol
Exact Mass317.04
IUPAC Name2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide
SMILESO=C(NCCSC1CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NOS/c15-10-5-6-12(13(16)9-10)14(18)17-7-8-19-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2,(H,17,18)
InChIKeyLYFNTIDJSWGNHA-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 54.40
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

(E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 100754959
N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide
CID 100528576
2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 32542151
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide
CID 38014027
N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
CID 94101618
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide
CID 143467111
N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706753
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 23804460

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide (CID 94101556) is 2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide is O=C(NCCSC1CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide?
The InChIKey is LYFNTIDJSWGNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NOS/c15-10-5-6-12(13(16)9-10)14(18)17-7-8-19-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2,(H,17,18).
What are the key properties of 2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide?
2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide has a molecular weight of 318.27 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide is sourced from PubChem (CID 94101556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).