methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate

C19H27N3O5S — CID 6470326

IUPACmethyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)s1
InChIInChI=1S/C19H27N3O5S/c1-3-13-11-14(19(25)26-2)17(28-13)20-16(23)12-21-6-8-22(9-7-21)18(24)15-5-4-10-27-15/h11,15H,3-10,12H2,1-2H3,(H,20,23)
InChIKeyQIWGHGXLTYOHRT-UHFFFAOYSA-N
MW409.51 g/mol
LogP1.36
Rot. Bonds6

About methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate

methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate (PubChem CID 6470326) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
PubChem CID6470326
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Namemethyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)s1
InChIInChI=1S/C19H27N3O5S/c1-3-13-11-14(19(25)26-2)17(28-13)20-16(23)12-21-6-8-22(9-7-21)18(24)15-5-4-10-27-15/h11,15H,3-10,12H2,1-2H3,(H,20,23)
InChIKeyQIWGHGXLTYOHRT-UHFFFAOYSA-N
XLogP1.36
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate (CID 6470326) is methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate is CCc1cc(C(=O)OC)c(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)s1.
What is the InChIKey of methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is QIWGHGXLTYOHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-3-13-11-14(19(25)26-2)17(28-13)20-16(23)12-21-6-8-22(9-7-21)18(24)15-5-4-10-27-15/h11,15H,3-10,12H2,1-2H3,(H,20,23).
What are the key properties of methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate?
methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 409.51 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 6470326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).