ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C14H15NO4S3 — CID 17200398

IUPACethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2cccs2)sc2c1CCC2
InChIInChI=1S/C14H15NO4S3/c1-2-19-14(16)12-9-5-3-6-10(9)21-13(12)15-22(17,18)11-7-4-8-20-11/h4,7-8,15H,2-3,5-6H2,1H3
InChIKeyZGELBONMIHVWBO-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.28
Rot. Bonds5

About ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 17200398) has the molecular formula C14H15NO4S3 and a molecular weight of 357.48 g/mol. Its IUPAC name is ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID17200398
Molecular FormulaC14H15NO4S3
Molecular Weight357.48 g/mol
Exact Mass357.02
IUPAC Nameethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2cccs2)sc2c1CCC2
InChIInChI=1S/C14H15NO4S3/c1-2-19-14(16)12-9-5-3-6-10(9)21-13(12)15-22(17,18)11-7-4-8-20-11/h4,7-8,15H,2-3,5-6H2,1H3
InChIKeyZGELBONMIHVWBO-UHFFFAOYSA-N
XLogP3.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-amino-4-(thiophen-2-yl)thiophene-3-carboxylate
CID 718227
Ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate
CID 711175
ethyl 2-{[(4-bromophenyl)sulfonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1012208
Ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate
CID 645868
Methyl 2-amino-4-(thiophen-2-yl)thiophene-3-carboxylate
CID 831570
Ethyl 2-[(2-thienylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 391239
Ethyl 2-(benzenesulfonamido)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CID 391240
Ethyl 2-[(benzylsulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1311440
Methyl 2-[(2-thienylsulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1296597
Ethyl 2-benzenesulphonylamino-5-phenylthiophene-3-carboxylate
CID 68278877
Ethyl 5-methyl-2-(((4-methylphenyl)sulfonyl)amino)-4-phenyl-3-thiophenecarboxylate
CID 278783
Ethyl 2-[(4-methylbenzene-1-sulfonyl)amino]-4-phenylthiophene-3-carboxylate
CID 278787

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 17200398) is ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is CCOC(=O)c1c(NS(=O)(=O)c2cccs2)sc2c1CCC2.
What is the InChIKey of ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is ZGELBONMIHVWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S3/c1-2-19-14(16)12-9-5-3-6-10(9)21-13(12)15-22(17,18)11-7-4-8-20-11/h4,7-8,15H,2-3,5-6H2,1H3.
What are the key properties of ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 357.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(thiophen-2-ylsulfonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 17200398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).