ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate

C20H24N2O4S2 — CID 1094329

IUPACethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)NC2CCCC2)c1C
InChIInChI=1S/C20H24N2O4S2/c1-3-26-20(25)16-12(2)17(18(24)21-13-7-4-5-8-13)28-19(16)22-15(23)11-14-9-6-10-27-14/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyMKPNQSWRHDQJSM-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.15
Rot. Bonds7

About ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate

ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 1094329) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID1094329
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC Nameethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)NC2CCCC2)c1C
InChIInChI=1S/C20H24N2O4S2/c1-3-26-20(25)16-12(2)17(18(24)21-13-7-4-5-8-13)28-19(16)22-15(23)11-14-9-6-10-27-14/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyMKPNQSWRHDQJSM-UHFFFAOYSA-N
XLogP4.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Diethyl 2-[(Thiophen-2-Ylacetyl)amino]-4,7-Dihydrothieno[2,3-C]pyridine-3,6(5h)-Dicarboxylate
CID 30515311
3-O-cyclopentyl 6-O-ethyl 2-[(2-thiophen-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 53393812
5-[(3-Ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acid
CID 661072
Ethyl 5'-(acetylamino)-2,3'-bithiophene-4'-carboxylate
CID 759955
Ethyl 2-[[2-(diethylamino)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 1251215
Ethyl 5-[(dimethylamino)carbonyl]-4-methyl-2-[(2-thienylcarbonyl)amino]-3-thiophenecarboxylate
CID 1313207
Ethyl 5-(aminocarbonyl)-4-methyl-2-{[phenyl(phenylthio)acetyl]amino}-3-thiophenecarboxylate
CID 2933309
Isopropyl 5-[(diethylamino)carbonyl]-4-methyl-2-{[phenyl(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate
CID 3318459
4,5-Dimethyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 650856
4-Methyl-5-(piperidine-1-carbonyl)-2-(2-thiophen-2-yl-acetylamino)-thiophene-3-carboxylic acid methyl ester
CID 652711
Ethyl 2-(3-methylbutanoylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 762489
Propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 868671

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate (CID 1094329) is ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)NC2CCCC2)c1C.
What is the InChIKey of ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is MKPNQSWRHDQJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-3-26-20(25)16-12(2)17(18(24)21-13-7-4-5-8-13)28-19(16)22-15(23)11-14-9-6-10-27-14/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate?
ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 420.56 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1094329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).