N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide

C18H18N2O2S — CID 51334384

IUPACN-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(CC1C=CCC1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H18N2O2S/c21-17(11-13-5-1-2-6-13)19-14-7-3-8-15(12-14)20-18(22)16-9-4-10-23-16/h1,3-5,7-10,12-13H,2,6,11H2,(H,19,21)(H,20,22)
InChIKeyKVGZCGWJGJDZRU-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.30
Rot. Bonds5

About N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide

N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 51334384) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID51334384
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(CC1C=CCC1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C18H18N2O2S/c21-17(11-13-5-1-2-6-13)19-14-7-3-8-15(12-14)20-18(22)16-9-4-10-23-16/h1,3-5,7-10,12-13H,2,6,11H2,(H,19,21)(H,20,22)
InChIKeyKVGZCGWJGJDZRU-UHFFFAOYSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701069
3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide
CID 51642056
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide
CID 60728386
2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 31887404
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylmethyl)phenyl]acetamide
CID 86865204
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 38325683
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086
N-[3-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 31515825
N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 31521034
2-[(1R)-cyclohex-2-en-1-yl]-N-phenylacetamide
CID 102462286

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide (CID 51334384) is N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide is O=C(CC1C=CCC1)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is KVGZCGWJGJDZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-17(11-13-5-1-2-6-13)19-14-7-3-8-15(12-14)20-18(22)16-9-4-10-23-16/h1,3-5,7-10,12-13H,2,6,11H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide?
N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 51334384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).