4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide

C16H22N2O2S — CID 79208816

IUPAC4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(Cc2cccs2)CC2CCCO2)C1
InChIInChI=1S/C16H22N2O2S/c17-13-6-5-12(9-13)16(19)18(10-14-3-1-7-20-14)11-15-4-2-8-21-15/h2,4-6,8,12-14H,1,3,7,9-11,17H2
InChIKeyUWWJWUGWZZBQRA-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.16
Rot. Bonds5

About 4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79208816) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79208816
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(Cc2cccs2)CC2CCCO2)C1
InChIInChI=1S/C16H22N2O2S/c17-13-6-5-12(9-13)16(19)18(10-14-3-1-7-20-14)11-15-4-2-8-21-15/h2,4-6,8,12-14H,1,3,7,9-11,17H2
InChIKeyUWWJWUGWZZBQRA-UHFFFAOYSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 60936615
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276
3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 55456224
2-amino-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pentanamide
CID 60936821
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
2-chloro-4,5-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55521414
4-(1,3-dithian-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78810036
(E)-4-oxo-4-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 60953299

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide (CID 79208816) is 4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)N(Cc2cccs2)CC2CCCO2)C1.
What is the InChIKey of 4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is UWWJWUGWZZBQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c17-13-6-5-12(9-13)16(19)18(10-14-3-1-7-20-14)11-15-4-2-8-21-15/h2,4-6,8,12-14H,1,3,7,9-11,17H2.
What are the key properties of 4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79208816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).