3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide

C18H22N2O3S — CID 166205855

IUPAC3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-11-16(22-2)17(24-13)18(21)19-12-14-3-5-15(6-4-14)20-7-9-23-10-8-20/h3-6,11H,7-10,12H2,1-2H3,(H,19,21)
InChIKeyQYVKASDICOEQIG-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.83
Rot. Bonds5

About 3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide

3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 166205855) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide
PubChem CID166205855
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-11-16(22-2)17(24-13)18(21)19-12-14-3-5-15(6-4-14)20-7-9-23-10-8-20/h3-6,11H,7-10,12H2,1-2H3,(H,19,21)
InChIKeyQYVKASDICOEQIG-UHFFFAOYSA-N
XLogP2.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[[(3-methoxy-5-methylthiophene-2-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247225
2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86830423
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 99951185
2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 94249254
2-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139630
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide (CID 166205855) is 3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide is COc1cc(C)sc1C(=O)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is QYVKASDICOEQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-11-16(22-2)17(24-13)18(21)19-12-14-3-5-15(6-4-14)20-7-9-23-10-8-20/h3-6,11H,7-10,12H2,1-2H3,(H,19,21).
What are the key properties of 3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide?
3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 166205855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).