ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate

C20H31N3O4S — CID 55739030

IUPACethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CN1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C20H31N3O4S/c1-5-15-11-16(20(26)27-6-2)19(28-15)22-17(24)12-23-9-7-14(8-10-23)21-18(25)13(3)4/h11,13-14H,5-10,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyGYXPMPOZSIQMRH-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.66
Rot. Bonds8

About ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate (PubChem CID 55739030) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
PubChem CID55739030
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Nameethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CN1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C20H31N3O4S/c1-5-15-11-16(20(26)27-6-2)19(28-15)22-17(24)12-23-9-7-14(8-10-23)21-18(25)13(3)4/h11,13-14H,5-10,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyGYXPMPOZSIQMRH-UHFFFAOYSA-N
XLogP2.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 3-methyl-5-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 55739127
methyl 1-[2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8741646
ethyl 5-ethyl-2-[[2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55842152
ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
CID 116658706
methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 17282588
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
methyl 5-ethyl-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
CID 6468961
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911
methyl 5-ethyl-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22195326
ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
CID 114875722
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 5-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22197629

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate (CID 55739030) is ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)CN1CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is GYXPMPOZSIQMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-5-15-11-16(20(26)27-6-2)19(28-15)22-17(24)12-23-9-7-14(8-10-23)21-18(25)13(3)4/h11,13-14H,5-10,12H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 409.55 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55739030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).