2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C27H22N2O4S — CID 18860752

IUPAC2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2
InChIInChI=1S/C27H22N2O4S/c30-23(13-17-15-33-21-11-10-16-5-1-2-7-19(16)24(17)21)29-27-25(20-8-3-9-22(20)34-27)26(31)28-14-18-6-4-12-32-18/h1-2,4-7,10-12,15H,3,8-9,13-14H2,(H,28,31)(H,29,30)
InChIKeyFOFUZNINLQGQGL-UHFFFAOYSA-N
MW470.55 g/mol
LogP5.84
Rot. Bonds6

About 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 18860752) has the molecular formula C27H22N2O4S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID18860752
Molecular FormulaC27H22N2O4S
Molecular Weight470.55 g/mol
Exact Mass470.13
IUPAC Name2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2
InChIInChI=1S/C27H22N2O4S/c30-23(13-17-15-33-21-11-10-16-5-1-2-7-19(16)24(17)21)29-27-25(20-8-3-9-22(20)34-27)26(31)28-14-18-6-4-12-32-18/h1-2,4-7,10-12,15H,3,8-9,13-14H2,(H,28,31)(H,29,30)
InChIKeyFOFUZNINLQGQGL-UHFFFAOYSA-N
XLogP5.84
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 18860751
(3R)-5-[[3-(furan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 27521468
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1308440
6-[[3-(furan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 17377545
(1R,2S,3S,4R)-3-[[3-(furan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98300599
N-(furan-2-ylmethyl)-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2872021
N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2924163
N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854735
2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18860937
ethyl 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 651229
N-[3-(furan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 2027873
N-butyl-2-[(2-naphthalen-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7536904

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 18860752) is 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is O=C(Cc1coc2ccc3ccccc3c12)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2.
What is the InChIKey of 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is FOFUZNINLQGQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4S/c30-23(13-17-15-33-21-11-10-16-5-1-2-7-19(16)24(17)21)29-27-25(20-8-3-9-22(20)34-27)26(31)28-14-18-6-4-12-32-18/h1-2,4-7,10-12,15H,3,8-9,13-14H2,(H,28,31)(H,29,30).
What are the key properties of 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 18860752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).