3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide

C14H15NOS — CID 841341

IUPAC3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2sccc2C)cc1
InChIInChI=1S/C14H15NOS/c1-10-3-5-12(6-4-10)9-15-14(16)13-11(2)7-8-17-13/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyHEADITVSXYFDJR-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.29
Rot. Bonds3

About 3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide

3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 841341) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
PubChem CID841341
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2sccc2C)cc1
InChIInChI=1S/C14H15NOS/c1-10-3-5-12(6-4-10)9-15-14(16)13-11(2)7-8-17-13/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyHEADITVSXYFDJR-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide (CID 841341) is 3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide is Cc1ccc(CNC(=O)c2sccc2C)cc1.
What is the InChIKey of 3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is HEADITVSXYFDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-3-5-12(6-4-10)9-15-14(16)13-11(2)7-8-17-13/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide?
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 245.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 841341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).