4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile

C17H13ClN2O3S — CID 56971354

IUPAC4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc2c1C(c1ccc(Cl)cc1)OC2=O
InChIInChI=1S/C17H13ClN2O3S/c18-11-3-1-10(2-4-11)14-13-12(9-19)16(20-5-7-22-8-6-20)24-15(13)17(21)23-14/h1-4,14H,5-8H2
InChIKeyKDWVDUDZFVXWIO-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.37
Rot. Bonds2

About 4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile

4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile (PubChem CID 56971354) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile
PubChem CID56971354
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc2c1C(c1ccc(Cl)cc1)OC2=O
InChIInChI=1S/C17H13ClN2O3S/c18-11-3-1-10(2-4-11)14-13-12(9-19)16(20-5-7-22-8-6-20)24-15(13)17(21)23-14/h1-4,14H,5-8H2
InChIKeyKDWVDUDZFVXWIO-UHFFFAOYSA-N
XLogP3.37
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile (CID 56971354) is 4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile is N#Cc1c(N2CCOCC2)sc2c1C(c1ccc(Cl)cc1)OC2=O.
What is the InChIKey of 4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile?
The InChIKey is KDWVDUDZFVXWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c18-11-3-1-10(2-4-11)14-13-12(9-19)16(20-5-7-22-8-6-20)24-15(13)17(21)23-14/h1-4,14H,5-8H2.
What are the key properties of 4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile?
4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile has a molecular weight of 360.82 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-morpholin-4-yl-6-oxo-4H-thieno[2,3-c]furan-3-carbonitrile is sourced from PubChem (CID 56971354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).