N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide

C19H17NO2S — CID 856363

IUPACN-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C19H17NO2S/c1-22-17-11-9-15(10-12-17)14-20(16-6-3-2-4-7-16)19(21)18-8-5-13-23-18/h2-13H,14H2,1H3
InChIKeyPNBALKGLAKVWKL-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.60
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide (PubChem CID 856363) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide
PubChem CID856363
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C19H17NO2S/c1-22-17-11-9-15(10-12-17)14-20(16-6-3-2-4-7-16)19(21)18-8-5-13-23-18/h2-13H,14H2,1H3
InChIKeyPNBALKGLAKVWKL-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide (CID 856363) is N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide is COc1ccc(CN(C(=O)c2cccs2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is PNBALKGLAKVWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-22-17-11-9-15(10-12-17)14-20(16-6-3-2-4-7-16)19(21)18-8-5-13-23-18/h2-13H,14H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 856363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).