methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate

C16H19ClN2O4S — CID 20883280

IUPACmethyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCC(C(=O)N1CCOCC1)n1c(C(=O)OC)cc2sc(Cl)cc21
InChIInChI=1S/C16H19ClN2O4S/c1-3-10(15(20)18-4-6-23-7-5-18)19-11-9-14(17)24-13(11)8-12(19)16(21)22-2/h8-10H,3-7H2,1-2H3
InChIKeyCVCHNEJSPGIUJV-UHFFFAOYSA-N
MW370.86 g/mol
LogP2.95
Rot. Bonds4

About methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate

methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883280) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID20883280
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC Namemethyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCC(C(=O)N1CCOCC1)n1c(C(=O)OC)cc2sc(Cl)cc21
InChIInChI=1S/C16H19ClN2O4S/c1-3-10(15(20)18-4-6-23-7-5-18)19-11-9-14(17)24-13(11)8-12(19)16(21)22-2/h8-10H,3-7H2,1-2H3
InChIKeyCVCHNEJSPGIUJV-UHFFFAOYSA-N
XLogP2.95
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate (CID 20883280) is methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate is CCC(C(=O)N1CCOCC1)n1c(C(=O)OC)cc2sc(Cl)cc21.
What is the InChIKey of methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is CVCHNEJSPGIUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-3-10(15(20)18-4-6-23-7-5-18)19-11-9-14(17)24-13(11)8-12(19)16(21)22-2/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate?
methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 370.86 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).