N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide

C21H21NO3S — CID 18111710

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2sccc2-c2ccccc2)c(OC)c1
InChIInChI=1S/C21H21NO3S/c1-22(14-16-9-10-17(24-2)13-19(16)25-3)21(23)20-18(11-12-26-20)15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKeyGFANMPLRWXXSDO-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.70
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide (PubChem CID 18111710) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
PubChem CID18111710
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2sccc2-c2ccccc2)c(OC)c1
InChIInChI=1S/C21H21NO3S/c1-22(14-16-9-10-17(24-2)13-19(16)25-3)21(23)20-18(11-12-26-20)15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKeyGFANMPLRWXXSDO-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 N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide (CID 18111710) is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide is COc1ccc(CN(C)C(=O)c2sccc2-c2ccccc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide?
The InChIKey is GFANMPLRWXXSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-22(14-16-9-10-17(24-2)13-19(16)25-3)21(23)20-18(11-12-26-20)15-7-5-4-6-8-15/h4-13H,14H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-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 N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 18111710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).