(4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone

C20H17ClN2O2S — CID 1485938

IUPAC(4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(-c2ccccn2)c(N2CCOCC2)s1
InChIInChI=1S/C20H17ClN2O2S/c21-15-6-4-14(5-7-15)19(24)18-13-16(17-3-1-2-8-22-17)20(26-18)23-9-11-25-12-10-23/h1-8,13H,9-12H2
InChIKeyJESJJHJNIOQXKN-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.53
Rot. Bonds4

About (4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone

(4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone (PubChem CID 1485938) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone
PubChem CID1485938
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name(4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(-c2ccccn2)c(N2CCOCC2)s1
InChIInChI=1S/C20H17ClN2O2S/c21-15-6-4-14(5-7-15)19(24)18-13-16(17-3-1-2-8-22-17)20(26-18)23-9-11-25-12-10-23/h1-8,13H,9-12H2
InChIKeyJESJJHJNIOQXKN-UHFFFAOYSA-N
XLogP4.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone (CID 1485938) is (4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone is O=C(c1ccc(Cl)cc1)c1cc(-c2ccccn2)c(N2CCOCC2)s1.
What is the InChIKey of (4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
The InChIKey is JESJJHJNIOQXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c21-15-6-4-14(5-7-15)19(24)18-13-16(17-3-1-2-8-22-17)20(26-18)23-9-11-25-12-10-23/h1-8,13H,9-12H2.
What are the key properties of (4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone?
(4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone has a molecular weight of 384.89 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 1485938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).