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

C13H13NO2S — CID 2539104

IUPACN-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccs2)c1
InChIInChI=1S/C13H13NO2S/c1-16-11-5-2-4-10(8-11)9-14-13(15)12-6-3-7-17-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyNUIYOQQHFRWQOP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.69
Rot. Bonds4

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

N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 2539104) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID2539104
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccs2)c1
InChIInChI=1S/C13H13NO2S/c1-16-11-5-2-4-10(8-11)9-14-13(15)12-6-3-7-17-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyNUIYOQQHFRWQOP-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 2539104) is N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1cccc(CNC(=O)c2cccs2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is NUIYOQQHFRWQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-16-11-5-2-4-10(8-11)9-14-13(15)12-6-3-7-17-12/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide?
N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 2539104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).