N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

C13H16ClNOS — CID 39271822

IUPACN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClNOS/c1-9(11-6-7-12(14)17-11)15-13(16)8-10-4-2-3-5-10/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyGTRHXQVIOZAYSO-UWVGGRQHSA-N
MW269.80 g/mol
LogP3.93
Rot. Bonds4

About N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (PubChem CID 39271822) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
PubChem CID39271822
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClNOS/c1-9(11-6-7-12(14)17-11)15-13(16)8-10-4-2-3-5-10/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyGTRHXQVIOZAYSO-UWVGGRQHSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 34760296
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 30906754
2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 24696738
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119287389
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-cyclopent-2-en-1-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 47008759
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 114998144
4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 51938037
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 51938197
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604497

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (CID 39271822) is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(Cl)s1.
What is the InChIKey of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is GTRHXQVIOZAYSO-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H16ClNOS/c1-9(11-6-7-12(14)17-11)15-13(16)8-10-4-2-3-5-10/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,15,16)/t9-,10-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 269.80 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 39271822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).