3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide

C17H20N2OS — CID 107272975

IUPAC3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
SMILESNc1ccccc1CCC(=O)NCc1cc2c(s1)CCC2
InChIInChI=1S/C17H20N2OS/c18-15-6-2-1-4-12(15)8-9-17(20)19-11-14-10-13-5-3-7-16(13)21-14/h1-2,4,6,10H,3,5,7-9,11,18H2,(H,19,20)
InChIKeyXWJFAWSSXBBJIE-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.07
Rot. Bonds5

About 3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide

3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide (PubChem CID 107272975) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
PubChem CID107272975
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
SMILESNc1ccccc1CCC(=O)NCc1cc2c(s1)CCC2
InChIInChI=1S/C17H20N2OS/c18-15-6-2-1-4-12(15)8-9-17(20)19-11-14-10-13-5-3-7-16(13)21-14/h1-2,4,6,10H,3,5,7-9,11,18H2,(H,19,20)
InChIKeyXWJFAWSSXBBJIE-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)acetamide
CID 81312193
3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107273159
3-(cyclopropylamino)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 61208786
(2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylpentanamide
CID 61208957
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61208365
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutanamide
CID 103155467
3-(2-aminophenyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide;dihydrochloride
CID 120612373
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
3-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide
CID 107272903
4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 82812054
3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 120609078

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide (CID 107272975) is 3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide is Nc1ccccc1CCC(=O)NCc1cc2c(s1)CCC2.
What is the InChIKey of 3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide?
The InChIKey is XWJFAWSSXBBJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c18-15-6-2-1-4-12(15)8-9-17(20)19-11-14-10-13-5-3-7-16(13)21-14/h1-2,4,6,10H,3,5,7-9,11,18H2,(H,19,20).
What are the key properties of 3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide?
3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide has a molecular weight of 300.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 107272975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).