ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate

C22H22FNO5S — CID 55476907

IUPACethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C22H22FNO5S/c1-2-28-22(27)19-17(13-3-4-13)11-30-20(19)24-18(25)10-29-21(26)16-9-15(16)12-5-7-14(23)8-6-12/h5-8,11,13,15-16H,2-4,9-10H2,1H3,(H,24,25)
InChIKeyPZSXCDYETXJIHE-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.23
Rot. Bonds8

About ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 55476907) has the molecular formula C22H22FNO5S and a molecular weight of 431.49 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
PubChem CID55476907
Molecular FormulaC22H22FNO5S
Molecular Weight431.49 g/mol
Exact Mass431.12
IUPAC Nameethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C22H22FNO5S/c1-2-28-22(27)19-17(13-3-4-13)11-30-20(19)24-18(25)10-29-21(26)16-9-15(16)12-5-7-14(23)8-6-12/h5-8,11,13,15-16H,2-4,9-10H2,1H3,(H,24,25)
InChIKeyPZSXCDYETXJIHE-UHFFFAOYSA-N
XLogP4.23
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 4-cyclopropyl-2-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 8019991
ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2627168
ethyl 4-cyclopropyl-2-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
CID 8552784
ethyl 4-cyclopropyl-2-[[2-(1,1-dioxothiolane-3-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 55425930
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 55755588
[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7554193
ethyl 4-cyclopropyl-2-[[2-(2-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 7819088
ethyl 4-cyclopropyl-2-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxylate
CID 78780003
ethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 8900758
ethyl 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 8895695
ethyl 4-cyclopropyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate
CID 8689038

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate (CID 55476907) is ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate?
The InChIKey is PZSXCDYETXJIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO5S/c1-2-28-22(27)19-17(13-3-4-13)11-30-20(19)24-18(25)10-29-21(26)16-9-15(16)12-5-7-14(23)8-6-12/h5-8,11,13,15-16H,2-4,9-10H2,1H3,(H,24,25).
What are the key properties of ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 431.49 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[[2-[2-(4-fluorophenyl)cyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55476907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).