N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C17H19NO2S — CID 2374087

IUPACN-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(c1cc2c(s1)CCC2)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H19NO2S/c19-10-9-18(12-13-5-2-1-3-6-13)17(20)16-11-14-7-4-8-15(14)21-16/h1-3,5-6,11,19H,4,7-10,12H2
InChIKeyMCHOMONLFVFBPB-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.87
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 2374087) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID2374087
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(c1cc2c(s1)CCC2)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H19NO2S/c19-10-9-18(12-13-5-2-1-3-6-13)17(20)16-11-14-7-4-8-15(14)21-16/h1-3,5-6,11,19H,4,7-10,12H2
InChIKeyMCHOMONLFVFBPB-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N,N-bis(2-methoxyethyl)-2-thieno[3,2-b][1]benzothiolecarboxamide
CID 1950083
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2998722
N-(1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 3525896
N-(2-hydroxyethyl)-4H,5H,6H-cyclopenta[b]thiophene-2-carboxamide
CID 3868055
3-(5-Acetyl-thiophen-2-yl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269951
[4-(2-Hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 16239644
(5-Methylthiophen-2-yl)(4-phenyl-3,6-dihydropyridin-1(2H)-yl)methanone
CID 24686496
3-[Benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231871
N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2315047
3-Hydroxy-1-(2-methoxyethyl)-5-phenyl-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 3147557
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3,5-dimethylpiperidin-1-yl)methanone
CID 4963136

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 2374087) is N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(c1cc2c(s1)CCC2)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is MCHOMONLFVFBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-10-9-18(12-13-5-2-1-3-6-13)17(20)16-11-14-7-4-8-15(14)21-16/h1-3,5-6,11,19H,4,7-10,12H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 2374087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).