methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

C17H22N2O3S — CID 6620140

IUPACmethyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H22N2O3S/c1-18(13-6-4-3-5-7-13)15(20)11-19-14(17(21)22-2)10-12-8-9-23-16(12)19/h8-10,13H,3-7,11H2,1-2H3
InChIKeyGDZINYUVMMMGOK-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.28
Rot. Bonds4

About methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 6620140) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID6620140
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Namemethyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H22N2O3S/c1-18(13-6-4-3-5-7-13)15(20)11-19-14(17(21)22-2)10-12-8-9-23-16(12)19/h8-10,13H,3-7,11H2,1-2H3
InChIKeyGDZINYUVMMMGOK-UHFFFAOYSA-N
XLogP3.28
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 6620140) is methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is COC(=O)c1cc2ccsc2n1CC(=O)N(C)C1CCCCC1.
What is the InChIKey of methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is GDZINYUVMMMGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-18(13-6-4-3-5-7-13)15(20)11-19-14(17(21)22-2)10-12-8-9-23-16(12)19/h8-10,13H,3-7,11H2,1-2H3.
What are the key properties of methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?
methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 334.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 6620140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).