N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide

C13H17NO2S — CID 82119541

IUPACN-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCCCC1)C(=O)c1cccs1
InChIInChI=1S/C13H17NO2S/c15-12(11-8-5-9-17-11)13(16)14-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H,14,16)
InChIKeyPSPNANFZPIRMLD-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.77
Rot. Bonds3

About N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide

N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide (PubChem CID 82119541) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
PubChem CID82119541
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCCCC1)C(=O)c1cccs1
InChIInChI=1S/C13H17NO2S/c15-12(11-8-5-9-17-11)13(16)14-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H,14,16)
InChIKeyPSPNANFZPIRMLD-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3220263
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511039
[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470115
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3863781
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
CID 3274426
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
S-thiophen-2-yl N-cyclohexylcarbamothioate
CID 146036114
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
CID 1470132

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide?
The IUPAC name of N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide (CID 82119541) is N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide is O=C(NC1CCCCCC1)C(=O)c1cccs1.
What is the InChIKey of N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide?
The InChIKey is PSPNANFZPIRMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-12(11-8-5-9-17-11)13(16)14-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H,14,16).
What are the key properties of N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide?
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide has a molecular weight of 251.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide is sourced from PubChem (CID 82119541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).