N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

C20H19NO2S — CID 112760256

IUPACN-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3)sc2C)cc1
InChIInChI=1S/C20H19NO2S/c1-14-18(16-8-10-17(23-2)11-9-16)12-19(24-14)20(22)21-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyBADNFFFGGMVEEK-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.66
Rot. Bonds5

About N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 112760256) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID112760256
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3)sc2C)cc1
InChIInChI=1S/C20H19NO2S/c1-14-18(16-8-10-17(23-2)11-9-16)12-19(24-14)20(22)21-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyBADNFFFGGMVEEK-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680
4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
4-(4-methoxyphenyl)-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120831426
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78779390
4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide
CID 78835011
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 86938583
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 35808128
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (CID 112760256) is N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccccc3)sc2C)cc1.
What is the InChIKey of N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is BADNFFFGGMVEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14-18(16-8-10-17(23-2)11-9-16)12-19(24-14)20(22)21-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 112760256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).