(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone

C16H16ClNO2S — CID 71801610

IUPAC(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C16H16ClNO2S/c17-15-7-6-14(21-15)16(19)18-8-9-20-13(11-18)10-12-4-2-1-3-5-12/h1-7,13H,8-11H2
InChIKeyRXIYWDXBLMCFRQ-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.49
Rot. Bonds3

About (2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone

(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone (PubChem CID 71801610) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is (2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone
PubChem CID71801610
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C16H16ClNO2S/c17-15-7-6-14(21-15)16(19)18-8-9-20-13(11-18)10-12-4-2-1-3-5-12/h1-7,13H,8-11H2
InChIKeyRXIYWDXBLMCFRQ-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone
CID 81210583
2-[[4-(5-chlorothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128972799
1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
CID 110643907
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286761
[(2R)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286762
[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 132971327

Frequently Asked Questions

What is the IUPAC name of (2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of (2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone (CID 71801610) is (2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)s1)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of (2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone?
The InChIKey is RXIYWDXBLMCFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-15-7-6-14(21-15)16(19)18-8-9-20-13(11-18)10-12-4-2-1-3-5-12/h1-7,13H,8-11H2.
What are the key properties of (2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone?
(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone has a molecular weight of 321.83 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 71801610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).