2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide

C20H19NO2S — CID 175825942

IUPAC2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide
SMILESCOc1ccc(-c2ccc(Cc3ccccc3C(N)=O)s2)cc1C
InChIInChI=1S/C20H19NO2S/c1-13-11-15(7-9-18(13)23-2)19-10-8-16(24-19)12-14-5-3-4-6-17(14)20(21)22/h3-11H,12H2,1-2H3,(H2,21,22)
InChIKeyNOFNZYLCYWARRK-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.42
Rot. Bonds5

About 2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide

2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide (PubChem CID 175825942) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide
PubChem CID175825942
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide
SMILESCOc1ccc(-c2ccc(Cc3ccccc3C(N)=O)s2)cc1C
InChIInChI=1S/C20H19NO2S/c1-13-11-15(7-9-18(13)23-2)19-10-8-16(24-19)12-14-5-3-4-6-17(14)20(21)22/h3-11H,12H2,1-2H3,(H2,21,22)
InChIKeyNOFNZYLCYWARRK-UHFFFAOYSA-N
XLogP4.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide
CID 2740193
N'-[(Z)-(2-methoxynaphthalen-1-yl)methylidene]-5-methylthiophene-2-carbohydrazide
CID 25237617
4-[3E-(5-Benzo[b]thiophen-2-yl-2,4dimethoxy-phenyl)-acryloyl]-benzamide
CID 16115757
N-(3-Methoxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934039
N-benzyl-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934185
4,5-Dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
CID 66868934
5-(4-methoxyphenyl)-N-methyl-2-thiophenecarboxamide
CID 1483382
N-(benzenesulfonyl)-5-[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-4-methoxy-2-methylbenzamide
CID 127043024
N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide
CID 4781252
N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 4795171
(E)-1-(4-Methoxy-phenyl)-3-(2-methoxy-5-thiophen-2-yl-phenyl)-propenone
CID 22025587
N-benzyl-5-(2-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934187

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide (CID 175825942) is 2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide is COc1ccc(-c2ccc(Cc3ccccc3C(N)=O)s2)cc1C.
What is the InChIKey of 2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is NOFNZYLCYWARRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-13-11-15(7-9-18(13)23-2)19-10-8-16(24-19)12-14-5-3-4-6-17(14)20(21)22/h3-11H,12H2,1-2H3,(H2,21,22).
What are the key properties of 2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide?
2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 337.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxy-3-methylphenyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 175825942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).