[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate

C21H24N2O4S — CID 8529123

IUPAC[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
SMILESO=C(COC(=O)CCc1cccs1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C21H24N2O4S/c24-19(14-27-20(25)12-11-16-8-5-13-28-16)23-18-10-4-3-9-17(18)21(26)22-15-6-1-2-7-15/h3-5,8-10,13,15H,1-2,6-7,11-12,14H2,(H,22,26)(H,23,24)
InChIKeySZDPETOZEABPLZ-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.54
Rot. Bonds8

About [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate (PubChem CID 8529123) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
PubChem CID8529123
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
SMILESO=C(COC(=O)CCc1cccs1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C21H24N2O4S/c24-19(14-27-20(25)12-11-16-8-5-13-28-16)23-18-10-4-3-9-17(18)21(26)22-15-6-1-2-7-15/h3-5,8-10,13,15H,1-2,6-7,11-12,14H2,(H,22,26)(H,23,24)
InChIKeySZDPETOZEABPLZ-UHFFFAOYSA-N
XLogP3.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 24557188
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506625
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 31403994
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16603315
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842017
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 16539773
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486495
N-cyclopentyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 17449333
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 29318600
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 7813805
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 55490539

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate?
The IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate (CID 8529123) is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate.
What is the SMILES notation for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate?
The canonical SMILES for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate is O=C(COC(=O)CCc1cccs1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate?
The InChIKey is SZDPETOZEABPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c24-19(14-27-20(25)12-11-16-8-5-13-28-16)23-18-10-4-3-9-17(18)21(26)22-15-6-1-2-7-15/h3-5,8-10,13,15H,1-2,6-7,11-12,14H2,(H,22,26)(H,23,24).
What are the key properties of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate?
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate has a molecular weight of 400.50 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate is sourced from PubChem (CID 8529123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).