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

C14H15NO2S — CID 2477202

IUPACN-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sccc2C)cc1
InChIInChI=1S/C14H15NO2S/c1-10-7-8-18-13(10)14(16)15-9-11-3-5-12(17-2)6-4-11/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyIFKQKKSTPMBDNW-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.00
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide (PubChem CID 2477202) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
PubChem CID2477202
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sccc2C)cc1
InChIInChI=1S/C14H15NO2S/c1-10-7-8-18-13(10)14(16)15-9-11-3-5-12(17-2)6-4-11/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyIFKQKKSTPMBDNW-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide (CID 2477202) is N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide is COc1ccc(CNC(=O)c2sccc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is IFKQKKSTPMBDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-7-8-18-13(10)14(16)15-9-11-3-5-12(17-2)6-4-11/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2477202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).