(2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone

C19H23NO3S — CID 78774228

IUPAC(2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC(C)OC(C)C3)sc2C)cc1
InChIInChI=1S/C19H23NO3S/c1-12-10-20(11-13(2)23-12)19(21)18-9-17(14(3)24-18)15-5-7-16(22-4)8-6-15/h5-9,12-13H,10-11H2,1-4H3
InChIKeyJUUQGYYPCUIKLV-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.98
Rot. Bonds3

About (2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone (PubChem CID 78774228) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
PubChem CID78774228
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC(C)OC(C)C3)sc2C)cc1
InChIInChI=1S/C19H23NO3S/c1-12-10-20(11-13(2)23-12)19(21)18-9-17(14(3)24-18)15-5-7-16(22-4)8-6-15/h5-9,12-13H,10-11H2,1-4H3
InChIKeyJUUQGYYPCUIKLV-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone;hydrochloride
CID 120750309
[4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
CID 31188365
[1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 78869007
[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573949
1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78864219
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 78866460
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759699
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1,4-dimethylpyrrol-2-yl]methanone
CID 24880561
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone
CID 7306681
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone (CID 78774228) is (2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone is COc1ccc(-c2cc(C(=O)N3CC(C)OC(C)C3)sc2C)cc1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone?
The InChIKey is JUUQGYYPCUIKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-12-10-20(11-13(2)23-12)19(21)18-9-17(14(3)24-18)15-5-7-16(22-4)8-6-15/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone has a molecular weight of 345.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone is sourced from PubChem (CID 78774228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).