2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide

C13H18N2OS — CID 115287121

IUPAC2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)NCC1CC=CCC1)c1cccs1
InChIInChI=1S/C13H18N2OS/c14-12(11-7-4-8-17-11)13(16)15-9-10-5-2-1-3-6-10/h1-2,4,7-8,10,12H,3,5-6,9,14H2,(H,15,16)
InChIKeyHXOGBEYPEWDJQQ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.22
Rot. Bonds4

About 2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide

2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 115287121) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID115287121
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)NCC1CC=CCC1)c1cccs1
InChIInChI=1S/C13H18N2OS/c14-12(11-7-4-8-17-11)13(16)15-9-10-5-2-1-3-6-10/h1-2,4,7-8,10,12H,3,5-6,9,14H2,(H,15,16)
InChIKeyHXOGBEYPEWDJQQ-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tenilsetam
CID 65649
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(thiophen-2-ylformamido)butanamide
CID 25093406
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883427
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 4651361
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 16389189
5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106469

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide (CID 115287121) is 2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide is NC(C(=O)NCC1CC=CCC1)c1cccs1.
What is the InChIKey of 2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is HXOGBEYPEWDJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-12(11-7-4-8-17-11)13(16)15-9-10-5-2-1-3-6-10/h1-2,4,7-8,10,12H,3,5-6,9,14H2,(H,15,16).
What are the key properties of 2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide?
2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 250.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115287121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).