4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide

C16H18N2OS — CID 61208774

IUPAC4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
SMILESNCc1ccc(C(=O)NCc2cc3c(s2)CCC3)cc1
InChIInChI=1S/C16H18N2OS/c17-9-11-4-6-12(7-5-11)16(19)18-10-14-8-13-2-1-3-15(13)20-14/h4-8H,1-3,9-10,17H2,(H,18,19)
InChIKeyBCARPDHKPVTKKB-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.63
Rot. Bonds4

About 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide

4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide (PubChem CID 61208774) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
PubChem CID61208774
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
SMILESNCc1ccc(C(=O)NCc2cc3c(s2)CCC3)cc1
InChIInChI=1S/C16H18N2OS/c17-9-11-4-6-12(7-5-11)16(19)18-10-14-8-13-2-1-3-15(13)20-14/h4-8H,1-3,9-10,17H2,(H,18,19)
InChIKeyBCARPDHKPVTKKB-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide 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

2-[2-(aminomethyl)phenyl]-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)acetamide
CID 81312193
4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 82812054
6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 61215827
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide
CID 63718466
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61207570
2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66378252
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 107952210
(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylpropanamide
CID 78984677
3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 64892170
3-amino-5-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylbenzamide
CID 107872496
5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62000467

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide (CID 61208774) is 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide is NCc1ccc(C(=O)NCc2cc3c(s2)CCC3)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
The InChIKey is BCARPDHKPVTKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c17-9-11-4-6-12(7-5-11)16(19)18-10-14-8-13-2-1-3-15(13)20-14/h4-8H,1-3,9-10,17H2,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide has a molecular weight of 286.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 61208774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).