N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide

C21H25NOS — CID 100517797

IUPACN-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCSC1CCCC1
InChIInChI=1S/C21H25NOS/c23-21(22-14-15-24-20-8-4-5-9-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-13,20H,4-5,8-9,14-16H2,(H,22,23)
InChIKeyNXGZQJUURAEVDP-UHFFFAOYSA-N
MW339.50 g/mol
LogP4.69
Rot. Bonds7

About N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide

N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide (PubChem CID 100517797) has the molecular formula C21H25NOS and a molecular weight of 339.50 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide
PubChem CID100517797
Molecular FormulaC21H25NOS
Molecular Weight339.50 g/mol
Exact Mass339.17
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCSC1CCCC1
InChIInChI=1S/C21H25NOS/c23-21(22-14-15-24-20-8-4-5-9-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-13,20H,4-5,8-9,14-16H2,(H,22,23)
InChIKeyNXGZQJUURAEVDP-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 54.69
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-cyclopentylsulfanylethyl)-4-phenylbenzamide
CID 100669575
N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
CID 100660183
2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
CID 94101603
N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
CID 94101567
N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
CID 46778333
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide
CID 100514943
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 126033785
N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 32542356
N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
CID 94101618
(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide
CID 94101620
2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 100712934
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide (CID 100517797) is N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCCSC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide?
The InChIKey is NXGZQJUURAEVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NOS/c23-21(22-14-15-24-20-8-4-5-9-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-13,20H,4-5,8-9,14-16H2,(H,22,23).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide?
N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide has a molecular weight of 339.50 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 100517797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).