N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide

C21H25NO2S — CID 19838443

IUPACN-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide
SMILESCCCN(C(=O)Cc1cccs1)C1CCc2cc3c(cc2C1)OCC3
InChIInChI=1S/C21H25NO2S/c1-2-8-22(21(23)14-19-4-3-10-25-19)18-6-5-15-11-16-7-9-24-20(16)13-17(15)12-18/h3-4,10-11,13,18H,2,5-9,12,14H2,1H3
InChIKeyLIDYGQPJHNAGCV-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.02
Rot. Bonds5

About N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide

N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide (PubChem CID 19838443) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide
PubChem CID19838443
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC NameN-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide
SMILESCCCN(C(=O)Cc1cccs1)C1CCc2cc3c(cc2C1)OCC3
InChIInChI=1S/C21H25NO2S/c1-2-8-22(21(23)14-19-4-3-10-25-19)18-6-5-15-11-16-7-9-24-20(16)13-17(15)12-18/h3-4,10-11,13,18H,2,5-9,12,14H2,1H3
InChIKeyLIDYGQPJHNAGCV-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide with MolForge

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 80678217
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 57225664
N-(6-fluoro-7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide
CID 10380559
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 43460540
4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide
CID 19838455
N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
CID 19710204
2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide
CID 97027743
2-N-propyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrrole-2,4-dicarboxamide
CID 71862222
7-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-ylamino)octanoic acid;hydrochloride
CID 70395700
[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] benzoate
CID 118668198

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide (CID 19838443) is N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide is CCCN(C(=O)Cc1cccs1)C1CCc2cc3c(cc2C1)OCC3.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide?
The InChIKey is LIDYGQPJHNAGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-2-8-22(21(23)14-19-4-3-10-25-19)18-6-5-15-11-16-7-9-24-20(16)13-17(15)12-18/h3-4,10-11,13,18H,2,5-9,12,14H2,1H3.
What are the key properties of N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide?
N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide has a molecular weight of 355.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 19838443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).