[2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone

C21H18ClNO2S — CID 55947755

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-c1ccccc1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H18ClNO2S/c22-17-8-6-16(7-9-17)19-14-23(11-12-25-19)21(24)20-18(10-13-26-20)15-4-2-1-3-5-15/h1-10,13,19H,11-12,14H2
InChIKeyWCXSJTKIXWFMQQ-UHFFFAOYSA-N
MW383.90 g/mol
LogP5.28
Rot. Bonds3

About [2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone

[2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone (PubChem CID 55947755) has the molecular formula C21H18ClNO2S and a molecular weight of 383.90 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone
PubChem CID55947755
Molecular FormulaC21H18ClNO2S
Molecular Weight383.90 g/mol
Exact Mass383.07
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-c1ccccc1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H18ClNO2S/c22-17-8-6-16(7-9-17)19-14-23(11-12-25-19)21(24)20-18(10-13-26-20)15-4-2-1-3-5-15/h1-10,13,19H,11-12,14H2
InChIKeyWCXSJTKIXWFMQQ-UHFFFAOYSA-N
XLogP5.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55948021
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
CID 55948792
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 47341691
[2-(4-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 110356670
[2-(4-chlorophenyl)morpholin-4-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 55947511
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone (CID 55947755) is [2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone is O=C(c1sccc1-c1ccccc1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone?
The InChIKey is WCXSJTKIXWFMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2S/c22-17-8-6-16(7-9-17)19-14-23(11-12-25-19)21(24)20-18(10-13-26-20)15-4-2-1-3-5-15/h1-10,13,19H,11-12,14H2.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone?
[2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone has a molecular weight of 383.90 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 55947755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).