4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide

C17H18N2OS — CID 79209714

IUPAC4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NC(c2ccccc2)c2cccs2)C1
InChIInChI=1S/C17H18N2OS/c18-14-9-8-13(11-14)17(20)19-16(15-7-4-10-21-15)12-5-2-1-3-6-12/h1-10,13-14,16H,11,18H2,(H,19,20)
InChIKeyDVIYKQUWAWIOTH-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.86
Rot. Bonds4

About 4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79209714) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
PubChem CID79209714
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NC(c2ccccc2)c2cccs2)C1
InChIInChI=1S/C17H18N2OS/c18-14-9-8-13(11-14)17(20)19-16(15-7-4-10-21-15)12-5-2-1-3-6-12/h1-10,13-14,16H,11,18H2,(H,19,20)
InChIKeyDVIYKQUWAWIOTH-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide 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

(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid
CID 104898564
4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
CID 79210742
4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide
CID 66241228
1,1-dioxo-N-[phenyl(thiophen-2-yl)methyl]thiolane-3-carboxamide
CID 18090427
(2R)-N-[(S)-phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 38010742
(3R)-1-methyl-5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 94092118
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide
CID 107863124
N-[phenyl(thiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42889430
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide
CID 8557506
2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 62733554
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide (CID 79209714) is 4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NC(c2ccccc2)c2cccs2)C1.
What is the InChIKey of 4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is DVIYKQUWAWIOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c18-14-9-8-13(11-14)17(20)19-16(15-7-4-10-21-15)12-5-2-1-3-6-12/h1-10,13-14,16H,11,18H2,(H,19,20).
What are the key properties of 4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79209714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).