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

C21H21NO3S — CID 90681960

IUPAC4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3cccc(OC)c3)cs2)c1
InChIInChI=1S/C21H21NO3S/c1-22(13-15-6-4-8-18(10-15)24-2)21(23)20-12-17(14-26-20)16-7-5-9-19(11-16)25-3/h4-12,14H,13H2,1-3H3
InChIKeyRTDIJKAOFMYEPV-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.70
Rot. Bonds6

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

4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 90681960) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID90681960
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3cccc(OC)c3)cs2)c1
InChIInChI=1S/C21H21NO3S/c1-22(13-15-6-4-8-18(10-15)24-2)21(23)20-12-17(14-26-20)16-7-5-9-19(11-16)25-3/h4-12,14H,13H2,1-3H3
InChIKeyRTDIJKAOFMYEPV-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 90681960) is 4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is COc1cccc(CN(C)C(=O)c2cc(-c3cccc(OC)c3)cs2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is RTDIJKAOFMYEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-22(13-15-6-4-8-18(10-15)24-2)21(23)20-12-17(14-26-20)16-7-5-9-19(11-16)25-3/h4-12,14H,13H2,1-3H3.
What are the key properties of 4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
4-(3-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 4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 90681960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).