2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide

C13H23NOS — CID 71993245

IUPAC2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide
SMILESCCSCCC(C)NC(=O)CC1C=CCC1
InChIInChI=1S/C13H23NOS/c1-3-16-9-8-11(2)14-13(15)10-12-6-4-5-7-12/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,14,15)
InChIKeyFLDPAJHHNSCHFE-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.99
Rot. Bonds7

About 2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide

2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide (PubChem CID 71993245) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide
PubChem CID71993245
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide
SMILESCCSCCC(C)NC(=O)CC1C=CCC1
InChIInChI=1S/C13H23NOS/c1-3-16-9-8-11(2)14-13(15)10-12-6-4-5-7-12/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,14,15)
InChIKeyFLDPAJHHNSCHFE-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 24696738
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
CID 97235375
(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
CID 61155871
2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115734463
tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
CID 81004154
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 30906754
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
CID 43407202
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 34760296
methyl (2S)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630238
methyl (2R)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630239
N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide (CID 71993245) is 2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide is CCSCCC(C)NC(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide?
The InChIKey is FLDPAJHHNSCHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-3-16-9-8-11(2)14-13(15)10-12-6-4-5-7-12/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide?
2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide has a molecular weight of 241.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 71993245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).