2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C16H18N2OS — CID 830161

IUPAC2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNc1sc2c(c1C(=O)NCCc1ccccc1)CCC2
InChIInChI=1S/C16H18N2OS/c17-15-14(12-7-4-8-13(12)20-15)16(19)18-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,17H2,(H,18,19)
InChIKeyPAPFJDBPMCTZRF-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.79
Rot. Bonds4

About 2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 830161) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID830161
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNc1sc2c(c1C(=O)NCCc1ccccc1)CCC2
InChIInChI=1S/C16H18N2OS/c17-15-14(12-7-4-8-13(12)20-15)16(19)18-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,17H2,(H,18,19)
InChIKeyPAPFJDBPMCTZRF-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675164
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
N-{3-[(diethylamino)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 833802
4-Ethyl-5-methyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-3-thiophenecarboxamide
CID 2933190
2-Cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 723132
2-(Acetylamino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxamide
CID 887901
1-(3-Carbamoyl-5-(4-((cyclopentylamino)methyl)phenyl)thiophen-2-yl)urea
CID 44560807
N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2792206
4-Methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-amine
CID 2090156
4-Methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-amine
CID 2120324
2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide
CID 53383652

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 830161) is 2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is Nc1sc2c(c1C(=O)NCCc1ccccc1)CCC2.
What is the InChIKey of 2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is PAPFJDBPMCTZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c17-15-14(12-7-4-8-13(12)20-15)16(19)18-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,17H2,(H,18,19).
What are the key properties of 2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 830161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).