N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide

C19H17NO2S — CID 4781252

IUPACN-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C19H17NO2S/c1-22-17-10-6-5-9-15(17)13-20-19(21)18-16(11-12-23-18)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,21)
InChIKeySQHOWAADENHKCC-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.35
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide (PubChem CID 4781252) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide
PubChem CID4781252
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C19H17NO2S/c1-22-17-10-6-5-9-15(17)13-20-19(21)18-16(11-12-23-18)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,21)
InChIKeySQHOWAADENHKCC-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide (CID 4781252) is N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide is COc1ccccc1CNC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is SQHOWAADENHKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-22-17-10-6-5-9-15(17)13-20-19(21)18-16(11-12-23-18)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 4781252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).