2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide

C21H25NOS — CID 2573745

IUPAC2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSC1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25NOS/c1-16(22-21(23)15-24-20-9-5-6-10-20)17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-4,7-8,11-14,16,20H,5-6,9-10,15H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyKEWQXEHPIJOSCG-INIZCTEOSA-N
MW339.50 g/mol
LogP5.21
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide

2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide (PubChem CID 2573745) has the molecular formula C21H25NOS and a molecular weight of 339.50 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
PubChem CID2573745
Molecular FormulaC21H25NOS
Molecular Weight339.50 g/mol
Exact Mass339.17
IUPAC Name2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSC1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25NOS/c1-16(22-21(23)15-24-20-9-5-6-10-20)17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-4,7-8,11-14,16,20H,5-6,9-10,15H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyKEWQXEHPIJOSCG-INIZCTEOSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40895557
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 30906754
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 9451251
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42903441
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283
2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide
CID 9342283
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide (CID 2573745) is 2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide is C[C@H](NC(=O)CSC1CCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
The InChIKey is KEWQXEHPIJOSCG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25NOS/c1-16(22-21(23)15-24-20-9-5-6-10-20)17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-4,7-8,11-14,16,20H,5-6,9-10,15H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide?
2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide has a molecular weight of 339.50 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide is sourced from PubChem (CID 2573745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).