2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone

C19H19NO2S — CID 134040086

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(C1Cc2ccccc2S1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H19NO2S/c21-19(18-12-15-8-4-5-9-17(15)23-18)20-10-11-22-16(13-20)14-6-2-1-3-7-14/h1-9,16,18H,10-13H2
InChIKeyHRWKVTIYYLSHNC-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.30
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone

2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone (PubChem CID 134040086) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone
PubChem CID134040086
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(C1Cc2ccccc2S1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H19NO2S/c21-19(18-12-15-8-4-5-9-17(15)23-18)20-10-11-22-16(13-20)14-6-2-1-3-7-14/h1-9,16,18H,10-13H2
InChIKeyHRWKVTIYYLSHNC-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzothiophene-2-carbonyl)morpholine-2-carbothioamide
CID 79674142
2,3-dihydro-1-benzofuran-2-yl-(2-phenylmorpholin-4-yl)methanone
CID 134040017
1-(2,3-dihydro-1-benzothiophene-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720284
[(2S)-oxolan-2-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 51710322
1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 25281285
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
(2-phenylmorpholin-4-yl)-piperidin-2-ylmethanone
CID 60962617
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564492
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562129
[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 99929653
1-(2-phenylmorpholin-4-yl)but-2-en-1-one
CID 112727078

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone (CID 134040086) is 2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone is O=C(C1Cc2ccccc2S1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is HRWKVTIYYLSHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c21-19(18-12-15-8-4-5-9-17(15)23-18)20-10-11-22-16(13-20)14-6-2-1-3-7-14/h1-9,16,18H,10-13H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone?
2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 325.43 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 134040086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).