(5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone

C20H18N2O2S — CID 6496809

IUPAC(5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C20H18N2O2S/c23-19(16-7-4-8-21-14-16)18-13-17(15-5-2-1-3-6-15)20(25-18)22-9-11-24-12-10-22/h1-8,13-14H,9-12H2
InChIKeyREZTWBWNEKLPNR-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.88
Rot. Bonds4

About (5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone

(5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone (PubChem CID 6496809) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone
PubChem CID6496809
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C20H18N2O2S/c23-19(16-7-4-8-21-14-16)18-13-17(15-5-2-1-3-6-15)20(25-18)22-9-11-24-12-10-22/h1-8,13-14H,9-12H2
InChIKeyREZTWBWNEKLPNR-UHFFFAOYSA-N
XLogP3.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone?
The IUPAC name of (5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone (CID 6496809) is (5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of (5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone?
The InChIKey is REZTWBWNEKLPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-19(16-7-4-8-21-14-16)18-13-17(15-5-2-1-3-6-15)20(25-18)22-9-11-24-12-10-22/h1-8,13-14H,9-12H2.
What are the key properties of (5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone?
(5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone has a molecular weight of 350.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-morpholin-4-yl-4-phenylthiophen-2-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 6496809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).