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

C13H13NO2S — CID 755236

IUPACN-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccs1
InChIInChI=1S/C13H13NO2S/c1-16-11-6-3-2-5-10(11)9-14-13(15)12-7-4-8-17-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyHVRMFTXLJODAPK-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.69
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 755236) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID755236
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccs1
InChIInChI=1S/C13H13NO2S/c1-16-11-6-3-2-5-10(11)9-14-13(15)12-7-4-8-17-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyHVRMFTXLJODAPK-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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Related Compounds

N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9270265
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 110471616
5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide
CID 78948585
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305038
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61091924
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride
CID 52985337

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 755236) is N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccccc1CNC(=O)c1cccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is HVRMFTXLJODAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-16-11-6-3-2-5-10(11)9-14-13(15)12-7-4-8-17-12/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
N-[(2-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-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 755236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).