(5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone

C16H16ClNO3S — CID 124573395

IUPAC(5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone
SMILESCOc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)s3)CCO2)c1
InChIInChI=1S/C16H16ClNO3S/c1-20-12-4-2-3-11(9-12)13-10-18(7-8-21-13)16(19)14-5-6-15(17)22-14/h2-6,9,13H,7-8,10H2,1H3/t13-/m0/s1
InChIKeySGVUAWSSQLTOAP-ZDUSSCGKSA-N
MW337.83 g/mol
LogP3.62
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone

(5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone (PubChem CID 124573395) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone
PubChem CID124573395
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name(5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone
SMILESCOc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)s3)CCO2)c1
InChIInChI=1S/C16H16ClNO3S/c1-20-12-4-2-3-11(9-12)13-10-18(7-8-21-13)16(19)14-5-6-15(17)22-14/h2-6,9,13H,7-8,10H2,1H3/t13-/m0/s1
InChIKeySGVUAWSSQLTOAP-ZDUSSCGKSA-N
XLogP3.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
(2S)-2-amino-1-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99852551
[2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136517505
1-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 99629535
[2-(4-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 110356670
(2R)-2-amino-1-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one
CID 97341648
(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride
CID 75449543
[2-(chloromethyl)morpholin-4-yl]-(5-chlorothiophen-2-yl)methanone
CID 81210583
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 124949665
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183890
1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 136547163

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone (CID 124573395) is (5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone is COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)s3)CCO2)c1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone?
The InChIKey is SGVUAWSSQLTOAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-20-12-4-2-3-11(9-12)13-10-18(7-8-21-13)16(19)14-5-6-15(17)22-14/h2-6,9,13H,7-8,10H2,1H3/t13-/m0/s1.
What are the key properties of (5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone?
(5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone has a molecular weight of 337.83 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 124573395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).