N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide

C15H20INOS — CID 100528576

IUPACN-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCSC2CCCC2)c(I)c1
InChIInChI=1S/C15H20INOS/c1-11-6-7-13(14(16)10-11)15(18)17-8-9-19-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyNOHPUMCRPGYQAM-UHFFFAOYSA-N
MW389.30 g/mol
LogP4.01
Rot. Bonds5

About N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide

N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide (PubChem CID 100528576) has the molecular formula C15H20INOS and a molecular weight of 389.30 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide
PubChem CID100528576
Molecular FormulaC15H20INOS
Molecular Weight389.30 g/mol
Exact Mass389.03
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCSC2CCCC2)c(I)c1
InChIInChI=1S/C15H20INOS/c1-11-6-7-13(14(16)10-11)15(18)17-8-9-19-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyNOHPUMCRPGYQAM-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
CID 46778333
2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide
CID 94101556
N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
CID 94101618
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-iodo-4-methylbenzamide
CID 100523818
N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
CID 100660183
2-iodo-4-methyl-N-(2-phenylethyl)benzamide
CID 100523119
2-cyclopentylsulfanyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 75446106
2-[2-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]ethylsulfanyl]acetic acid
CID 120526686
N-(2-cyclopentylsulfanylethyl)-4-methyl-3-methylsulfonylbenzamide
CID 47047129
N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide
CID 100527914
N-(2-cyclohexylethyl)-2-hydroxy-4-methylbenzamide
CID 63526438
N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706753

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide (CID 100528576) is N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide is Cc1ccc(C(=O)NCCSC2CCCC2)c(I)c1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide?
The InChIKey is NOHPUMCRPGYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INOS/c1-11-6-7-13(14(16)10-11)15(18)17-8-9-19-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide?
N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide has a molecular weight of 389.30 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide is sourced from PubChem (CID 100528576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).