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

C20H19NO3S — CID 8010958

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1OC
InChIInChI=1S/C20H19NO3S/c1-23-17-9-8-14(12-18(17)24-2)13-21-20(22)19-16(10-11-25-19)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyAIXYHXGBKBBEJY-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.36
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide (PubChem CID 8010958) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide
PubChem CID8010958
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1OC
InChIInChI=1S/C20H19NO3S/c1-23-17-9-8-14(12-18(17)24-2)13-21-20(22)19-16(10-11-25-19)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyAIXYHXGBKBBEJY-UHFFFAOYSA-N
XLogP4.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide (CID 8010958) is N-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide is COc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is AIXYHXGBKBBEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-23-17-9-8-14(12-18(17)24-2)13-21-20(22)19-16(10-11-25-19)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 8010958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).