5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide

C21H21NO3S — CID 56934041

IUPAC5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(-c3ccccc3OC)s2)c1
InChIInChI=1S/C21H21NO3S/c1-22(14-15-7-6-8-16(13-15)24-2)21(23)20-12-11-19(26-20)17-9-4-5-10-18(17)25-3/h4-13H,14H2,1-3H3
InChIKeyZVBBJDDBYVDMII-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.70
Rot. Bonds6

About 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide

5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 56934041) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID56934041
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(-c3ccccc3OC)s2)c1
InChIInChI=1S/C21H21NO3S/c1-22(14-15-7-6-8-16(13-15)24-2)21(23)20-12-11-19(26-20)17-9-4-5-10-18(17)25-3/h4-13H,14H2,1-3H3
InChIKeyZVBBJDDBYVDMII-UHFFFAOYSA-N
XLogP4.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934042
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 29217634
N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 29217686
2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 56934041) is 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is COc1cccc(CN(C)C(=O)c2ccc(-c3ccccc3OC)s2)c1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is ZVBBJDDBYVDMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-22(14-15-7-6-8-16(13-15)24-2)21(23)20-12-11-19(26-20)17-9-4-5-10-18(17)25-3/h4-13H,14H2,1-3H3.
What are the key properties of 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56934041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).