azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone

C18H20N2O2S — CID 24515046

IUPACazetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCC1
InChIInChI=1S/C18H20N2O2S/c21-17(19-7-4-8-19)16-13-15(14-5-2-1-3-6-14)18(23-16)20-9-11-22-12-10-20/h1-3,5-6,13H,4,7-12H2
InChIKeyYAQVEBDQFVDYNV-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.10
Rot. Bonds3

About azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone

azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone (PubChem CID 24515046) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
PubChem CID24515046
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Nameazetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCC1
InChIInChI=1S/C18H20N2O2S/c21-17(19-7-4-8-19)16-13-15(14-5-2-1-3-6-14)18(23-16)20-9-11-22-12-10-20/h1-3,5-6,13H,4,7-12H2
InChIKeyYAQVEBDQFVDYNV-UHFFFAOYSA-N
XLogP3.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469027
(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24667301
(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 20940464
(4-benzylpiperazin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24513631
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398
(4-methoxypiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 55480219
[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 25398433
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 27515240
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 46637403
N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 55836288

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The IUPAC name of azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone (CID 24515046) is azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The canonical SMILES for azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone is O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
The InChIKey is YAQVEBDQFVDYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-17(19-7-4-8-19)16-13-15(14-5-2-1-3-6-14)18(23-16)20-9-11-22-12-10-20/h1-3,5-6,13H,4,7-12H2.
What are the key properties of azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone?
azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone has a molecular weight of 328.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 24515046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).