[(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate

C18H21NO2S2 — CID 155429845

IUPAC[(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate
SMILESCC(=O)O/N=C(\CCC1CCCC1)c1ccc(-c2cccs2)s1
InChIInChI=1S/C18H21NO2S2/c1-13(20)21-19-15(9-8-14-5-2-3-6-14)16-10-11-18(23-16)17-7-4-12-22-17/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3/b19-15+
InChIKeyYYWNTTZDFLFNHF-XDJHFCHBSA-N
MW347.50 g/mol
LogP5.71
Rot. Bonds6

About [(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate

[(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate (PubChem CID 155429845) has the molecular formula C18H21NO2S2 and a molecular weight of 347.50 g/mol. Its IUPAC name is [(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate
PubChem CID155429845
Molecular FormulaC18H21NO2S2
Molecular Weight347.50 g/mol
Exact Mass347.10
IUPAC Name[(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate
SMILESCC(=O)O/N=C(\CCC1CCCC1)c1ccc(-c2cccs2)s1
InChIInChI=1S/C18H21NO2S2/c1-13(20)21-19-15(9-8-14-5-2-3-6-14)16-10-11-18(23-16)17-7-4-12-22-17/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3/b19-15+
InChIKeyYYWNTTZDFLFNHF-XDJHFCHBSA-N
XLogP5.71
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[1-oxo-1-(5-thiophen-2-ylthiophen-2-yl)octan-2-ylidene]amino] acetate
CID 155429567
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529
2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone
CID 130133420
[(E)-[3-cyclopropyl-1-[5-(furan-2-yl)furan-2-yl]propylidene]amino] acetate
CID 155429575
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671
[[3-cyclopentyl-1-(2-pyrimidin-2-ylsulfanyl-9H-carbazol-3-yl)propylidene]amino] acetate
CID 141475594
[[4-cyclopentyl-1-oxo-1-(4-phenylsulfanylphenyl)butan-2-ylidene]amino] acetate
CID 123213751
[1,1-bis(5-thiophen-2-ylthiophen-2-yl)-4-triethylsilylbut-1-en-3-yn-2-yl] acetate
CID 101226249
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
CID 90644699
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one
CID 61103392
[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 3-methylbut-2-enoate
CID 10247992
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone
CID 21093218

Frequently Asked Questions

What is the IUPAC name of [(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate?
The IUPAC name of [(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate (CID 155429845) is [(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate.
What is the SMILES notation for [(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate?
The canonical SMILES for [(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate is CC(=O)O/N=C(\CCC1CCCC1)c1ccc(-c2cccs2)s1.
What is the InChIKey of [(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate?
The InChIKey is YYWNTTZDFLFNHF-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H21NO2S2/c1-13(20)21-19-15(9-8-14-5-2-3-6-14)16-10-11-18(23-16)17-7-4-12-22-17/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3/b19-15+.
What are the key properties of [(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate?
[(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate has a molecular weight of 347.50 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate is sourced from PubChem (CID 155429845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).