(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone

C20H18N2O2S — CID 1485941

IUPAC(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ccccn2)c(N2CCOCC2)s1
InChIInChI=1S/C20H18N2O2S/c23-19(15-6-2-1-3-7-15)18-14-16(17-8-4-5-9-21-17)20(25-18)22-10-12-24-13-11-22/h1-9,14H,10-13H2
InChIKeyVODCYJLLHGQGDF-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.88
Rot. Bonds4

About (5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone

(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone (PubChem CID 1485941) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone
PubChem CID1485941
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ccccn2)c(N2CCOCC2)s1
InChIInChI=1S/C20H18N2O2S/c23-19(15-6-2-1-3-7-15)18-14-16(17-8-4-5-9-21-17)20(25-18)22-10-12-24-13-11-22/h1-9,14H,10-13H2
InChIKeyVODCYJLLHGQGDF-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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Related Compounds

(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone
CID 11842439
5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide
CID 95856416
5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide
CID 46961308
(5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-nitrophenyl)methanone
CID 71518781
N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 134008677
[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone
CID 69026448
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
CID 9291462
(4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone
CID 56951813
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
(5-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanone
CID 102544847

Frequently Asked Questions

What is the IUPAC name of (5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone?
The IUPAC name of (5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone (CID 1485941) is (5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone.
What is the SMILES notation for (5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone?
The canonical SMILES for (5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone is O=C(c1ccccc1)c1cc(-c2ccccn2)c(N2CCOCC2)s1.
What is the InChIKey of (5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone?
The InChIKey is VODCYJLLHGQGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-19(15-6-2-1-3-7-15)18-14-16(17-8-4-5-9-21-17)20(25-18)22-10-12-24-13-11-22/h1-9,14H,10-13H2.
What are the key properties of (5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone?
(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone 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-pyridin-2-ylthiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 1485941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).