(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide

C16H23NOS2 — CID 94101620

IUPAC(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)NCCSC1CCCC1
InChIInChI=1S/C16H23NOS2/c1-13(20-15-9-3-2-4-10-15)16(18)17-11-12-19-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyIQNZBSLVKIEEHA-ZDUSSCGKSA-N
MW309.50 g/mol
LogP3.96
Rot. Bonds7

About (2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide

(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide (PubChem CID 94101620) has the molecular formula C16H23NOS2 and a molecular weight of 309.50 g/mol. Its IUPAC name is (2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide
PubChem CID94101620
Molecular FormulaC16H23NOS2
Molecular Weight309.50 g/mol
Exact Mass309.12
IUPAC Name(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)NCCSC1CCCC1
InChIInChI=1S/C16H23NOS2/c1-13(20-15-9-3-2-4-10-15)16(18)17-11-12-19-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyIQNZBSLVKIEEHA-ZDUSSCGKSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 92684572
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 133200034
N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 132760870
N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
CID 94101618
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 28576651
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide
CID 100669575

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide (CID 94101620) is (2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide is C[C@H](Sc1ccccc1)C(=O)NCCSC1CCCC1.
What is the InChIKey of (2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide?
The InChIKey is IQNZBSLVKIEEHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NOS2/c1-13(20-15-9-3-2-4-10-15)16(18)17-11-12-19-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide?
(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide has a molecular weight of 309.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 94101620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).