2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide

C17H20N2O3S — CID 45204776

IUPAC2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide
SMILESCOc1cccc(CC2CN(C(=O)Nc3cccs3)CCO2)c1
InChIInChI=1S/C17H20N2O3S/c1-21-14-5-2-4-13(10-14)11-15-12-19(7-8-22-15)17(20)18-16-6-3-9-23-16/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,18,20)
InChIKeyOLISHRXTAIQQIH-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.23
Rot. Bonds4

About 2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide

2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide (PubChem CID 45204776) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide
PubChem CID45204776
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide
SMILESCOc1cccc(CC2CN(C(=O)Nc3cccs3)CCO2)c1
InChIInChI=1S/C17H20N2O3S/c1-21-14-5-2-4-13(10-14)11-15-12-19(7-8-22-15)17(20)18-16-6-3-9-23-16/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,18,20)
InChIKeyOLISHRXTAIQQIH-UHFFFAOYSA-N
XLogP3.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 26322636
1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate
CID 45226652
3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 42189451
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 42344181
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 45197469
[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 25457567
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 56864991
[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 25283547

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide (CID 45204776) is 2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide is COc1cccc(CC2CN(C(=O)Nc3cccs3)CCO2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide?
The InChIKey is OLISHRXTAIQQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-21-14-5-2-4-13(10-14)11-15-12-19(7-8-22-15)17(20)18-16-6-3-9-23-16/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,18,20).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide?
2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-N-thiophen-2-ylmorpholine-4-carboxamide is sourced from PubChem (CID 45204776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).