ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate

C24H24O4S3 — CID 71681447

IUPACethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(-c3cc(C4CC4)c(C(=O)OCC)s3)s2)cc1C1CC1
InChIInChI=1S/C24H24O4S3/c1-3-27-23(25)21-15(13-5-6-13)11-19(30-21)17-9-10-18(29-17)20-12-16(14-7-8-14)22(31-20)24(26)28-4-2/h9-14H,3-8H2,1-2H3
InChIKeyMLJQJWLFUIKWOF-UHFFFAOYSA-N
MW472.65 g/mol
LogP7.31
Rot. Bonds8

About ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate

ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate (PubChem CID 71681447) has the molecular formula C24H24O4S3 and a molecular weight of 472.65 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate
PubChem CID71681447
Molecular FormulaC24H24O4S3
Molecular Weight472.65 g/mol
Exact Mass472.08
IUPAC Nameethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(-c3cc(C4CC4)c(C(=O)OCC)s3)s2)cc1C1CC1
InChIInChI=1S/C24H24O4S3/c1-3-27-23(25)21-15(13-5-6-13)11-19(30-21)17-9-10-18(29-17)20-12-16(14-7-8-14)22(31-20)24(26)28-4-2/h9-14H,3-8H2,1-2H3
InChIKeyMLJQJWLFUIKWOF-UHFFFAOYSA-N
XLogP7.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.65
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate with MolForge

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Related Compounds

ethyl 5-amino-3-cyclopropylthiophene-2-carboxylate
CID 136575637
ethyl 5-bromo-3-(thiolan-3-yl)thiophene-2-carboxylate
CID 165449475
ethyl 3-cyclobutylthiophene-2-carboxylate
CID 165454275
ethyl 2-cyclopropylbenzoate
CID 118105330
ethyl 2-cyclopropyl-4-fluorobenzoate
CID 150607366
4-[5-(3-thiatricyclo[5.2.2.02,6]undeca-2(6),4-dien-4-yl)thiophen-2-yl]-3-thiatricyclo[5.2.2.02,6]undeca-2(6),4-diene
CID 101376358
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
CID 163326154
ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66644689
ethyl 3-amino-5-(3-ethylthiophen-2-yl)thiophene-2-carboxylate
CID 79976064
ethyl 2-cyclobutylbenzoate
CID 106942755
ethyl bicyclo[2.2.2]oct-2-ene-2-carboxylate
CID 122519867

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate (CID 71681447) is ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccc(-c3cc(C4CC4)c(C(=O)OCC)s3)s2)cc1C1CC1.
What is the InChIKey of ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate?
The InChIKey is MLJQJWLFUIKWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4S3/c1-3-27-23(25)21-15(13-5-6-13)11-19(30-21)17-9-10-18(29-17)20-12-16(14-7-8-14)22(31-20)24(26)28-4-2/h9-14H,3-8H2,1-2H3.
What are the key properties of ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate?
ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate has a molecular weight of 472.65 g/mol, XLogP of 7.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate is sourced from PubChem (CID 71681447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).