N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide

C23H21NO2S — CID 53238412

IUPACN-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=C(c2csc3ccccc23)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C23H21NO2S/c1-14(25)24-10-8-17-19(20-13-27-22-5-3-2-4-16(20)22)12-15-6-7-21-18(23(15)17)9-11-26-21/h2-7,13H,8-12H2,1H3,(H,24,25)
InChIKeyFCGPIMDMDIPLSK-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.83
Rot. Bonds4

About N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide

N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide (PubChem CID 53238412) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
PubChem CID53238412
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC NameN-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=C(c2csc3ccccc23)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C23H21NO2S/c1-14(25)24-10-8-17-19(20-13-27-22-5-3-2-4-16(20)22)12-15-6-7-21-18(23(15)17)9-11-26-21/h2-7,13H,8-12H2,1H3,(H,24,25)
InChIKeyFCGPIMDMDIPLSK-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(2-(5-methoxybenzo(b)thien-3-yl)ethyl)-
CID 34247
3-(1-benzothiophen-7-yloxy)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 22171167
N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238182
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide
CID 10085672
N-[2-(7-{4-[3-(2-Acetylaminoethyl)benzo[b]thiophen-5-yloxy]butoxy}naphthalen-1-yl)ethyl]acetamide
CID 18360658
N-[2-(5-propoxy-1-benzothiophen-3-yl)ethyl]acetamide
CID 44359479
2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 44423267
(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 155534190
2-thiophen-2-yl-N-[2-[2-[1-[2-[2-[2-[(2-thiophen-2-ylacetyl)amino]ethylsulfanyl]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethylsulfanyl]ethyl]acetamide
CID 76316677
N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine
CID 15015309
2,2,2-trifluoro-N-[2-[5-[4-[[3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1-benzothiophen-5-yl]oxy]butoxy]-1-benzothiophen-3-yl]ethyl]acetamide
CID 18007975
N-[2-(8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 18783032

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide (CID 53238412) is N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide is CC(=O)NCCC1=C(c2csc3ccccc23)Cc2ccc3c(c21)CCO3.
What is the InChIKey of N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The InChIKey is FCGPIMDMDIPLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-14(25)24-10-8-17-19(20-13-27-22-5-3-2-4-16(20)22)12-15-6-7-21-18(23(15)17)9-11-26-21/h2-7,13H,8-12H2,1H3,(H,24,25).
What are the key properties of N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide has a molecular weight of 375.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide is sourced from PubChem (CID 53238412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).