ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate

C19H21NO3S — CID 841453

IUPACethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCCC1
InChIInChI=1S/C19H21NO3S/c1-2-23-19(22)15-12-16(13-8-4-3-5-9-13)24-18(15)20-17(21)14-10-6-7-11-14/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,20,21)
InChIKeyNINVIQQYGATCES-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.72
Rot. Bonds5

About ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate

ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate (PubChem CID 841453) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate
PubChem CID841453
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Nameethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCCC1
InChIInChI=1S/C19H21NO3S/c1-2-23-19(22)15-12-16(13-8-4-3-5-9-13)24-18(15)20-17(21)14-10-6-7-11-14/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,20,21)
InChIKeyNINVIQQYGATCES-UHFFFAOYSA-N
XLogP4.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-phenyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 78884328
ethyl 2-[(2-ethylpiperidine-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate
CID 3279090
tert-butyl 3-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 171651463
(1R,2R,3R,4R)-3-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 100702878
ethyl 2-(butanoylamino)-5-phenylthiophene-3-carboxylate
CID 949199
ethyl 2-[[(3R)-3-methylpiperidine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate
CID 40575843
ethyl 2-[di(butan-2-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate
CID 19653523
ethyl 2-[(2-methoxyacetyl)amino]-5-phenylthiophene-3-carboxylate
CID 733295
ethyl 2-[[(2S)-2-chloropropanoyl]amino]-5-phenylthiophene-3-carboxylate
CID 2386073
ethyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-5-phenylthiophene-3-carboxylate
CID 2276260
ethyl 2-[[(2S)-2-methylpentanoyl]amino]-5-phenylthiophene-3-carboxylate
CID 92759942
ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate
CID 46095143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate (CID 841453) is ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCCC1.
What is the InChIKey of ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate?
The InChIKey is NINVIQQYGATCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-2-23-19(22)15-12-16(13-8-4-3-5-9-13)24-18(15)20-17(21)14-10-6-7-11-14/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,20,21).
What are the key properties of ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate?
ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate has a molecular weight of 343.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate is sourced from PubChem (CID 841453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).