4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide

C19H23NO3S — CID 47718655

IUPAC4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)Cc3cccs3)CCOCC2)cc1
InChIInChI=1S/C19H23NO3S/c1-20(14-17-4-3-13-24-17)18(21)19(9-11-23-12-10-19)15-5-7-16(22-2)8-6-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyNQJMBTSLTWEXCN-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.46
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide

4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide (PubChem CID 47718655) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
PubChem CID47718655
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)Cc3cccs3)CCOCC2)cc1
InChIInChI=1S/C19H23NO3S/c1-20(14-17-4-3-13-24-17)18(21)19(9-11-23-12-10-19)15-5-7-16(22-2)8-6-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyNQJMBTSLTWEXCN-UHFFFAOYSA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39909967
4-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440346
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78791495
1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 143295541
2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113280867
4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide
CID 54472374
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 115439199
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385
diethyl 2-[4-(4-methoxyphenyl)oxane-4-carbonyl]propanedioate
CID 67099404
4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 7997601

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide (CID 47718655) is 4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide is COc1ccc(C2(C(=O)N(C)Cc3cccs3)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is NQJMBTSLTWEXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-20(14-17-4-3-13-24-17)18(21)19(9-11-23-12-10-19)15-5-7-16(22-2)8-6-15/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 345.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 47718655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).