ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate

C16H22N2O4S — CID 752638

IUPACethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)sc(C(=O)NC2CCCC2)c1C
InChIInChI=1S/C16H22N2O4S/c1-4-22-16(21)12-9(2)13(23-15(12)17-10(3)19)14(20)18-11-7-5-6-8-11/h11H,4-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNCJJXUPPJBYMDQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.86
Rot. Bonds5

About ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate

ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate (PubChem CID 752638) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate
PubChem CID752638
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Nameethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)sc(C(=O)NC2CCCC2)c1C
InChIInChI=1S/C16H22N2O4S/c1-4-22-16(21)12-9(2)13(23-15(12)17-10(3)19)14(20)18-11-7-5-6-8-11/h11H,4-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNCJJXUPPJBYMDQ-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4,5-dimethyl-2-[(piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 691671
N-propyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68909935
Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
CID 291812
Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-6-acetyl-6-amino-, ethyl ester
CID 212358
2-Ethyl 4-methyl 5-[(methoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
CID 1246494
2-Acetylamino-4-methyl-5-(morpholine-4-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 829075
Ethyl 2-{[(tert-butylamino)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 2810964
Ethyl 4,5-dimethyl-2-(oxolan-2-ylcarbonylamino)thiophene-3-carboxylate
CID 3138739
Dimethyl 5-isobutyramido-3-methylthiophene-2,4-dicarboxylate
CID 662211
Ethyl 5-[(dimethylamino)carbonyl]-4-methyl-2-[(2-thienylcarbonyl)amino]-3-thiophenecarboxylate
CID 1313207
ethyl 2-[(N-butylglycyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1657161
Ethyl 3-amino-4-((3-(dimethylamino)-2,2-dimethylpropyl)carbamoyl)-5-methylthiophene-2-carboxylate
CID 1911604

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate (CID 752638) is ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(C)=O)sc(C(=O)NC2CCCC2)c1C.
What is the InChIKey of ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate?
The InChIKey is NCJJXUPPJBYMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-4-22-16(21)12-9(2)13(23-15(12)17-10(3)19)14(20)18-11-7-5-6-8-11/h11H,4-8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate?
ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate has a molecular weight of 338.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 752638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).