2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone

C17H19NO2S — CID 175303916

IUPAC2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone
SMILESCc1ccsc1C(C(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H19NO2S/c1-13-7-12-21-17(13)15(18-8-10-20-11-9-18)16(19)14-5-3-2-4-6-14/h2-7,12,15H,8-11H2,1H3
InChIKeyJHMGAOYOWPXPOL-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.31
Rot. Bonds4

About 2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone

2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone (PubChem CID 175303916) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone
PubChem CID175303916
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone
SMILESCc1ccsc1C(C(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H19NO2S/c1-13-7-12-21-17(13)15(18-8-10-20-11-9-18)16(19)14-5-3-2-4-6-14/h2-7,12,15H,8-11H2,1H3
InChIKeyJHMGAOYOWPXPOL-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one
CID 116860088
1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
CID 71319479
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
2-[4-[1-(3-methylthiophen-2-yl)ethyl]piperazin-1-yl]propanoic acid
CID 65062707
3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide
CID 43057560
(2S,3S)-2-hydroxy-3-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 1481632
(2R)-2-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 7000195
4-[3,3-bis(methylsulfanyl)-1,2-diphenylprop-2-enyl]morpholine
CID 12590230
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189
methoxymethane;N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)formamide
CID 21240768
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride
CID 18530910
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone?
The IUPAC name of 2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone (CID 175303916) is 2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone is Cc1ccsc1C(C(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone?
The InChIKey is JHMGAOYOWPXPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-7-12-21-17(13)15(18-8-10-20-11-9-18)16(19)14-5-3-2-4-6-14/h2-7,12,15H,8-11H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone?
2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone has a molecular weight of 301.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone is sourced from PubChem (CID 175303916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).