5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide

C21H21NO2S — CID 7925009

IUPAC5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1C
InChIInChI=1S/C21H21NO2S/c1-4-19-15(3)13-20(25-19)21(23)22-16-8-10-17(11-9-16)24-18-7-5-6-14(2)12-18/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyOCTKSWVDGXYJJF-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.97
Rot. Bonds5

About 5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide

5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide (PubChem CID 7925009) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide
PubChem CID7925009
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1C
InChIInChI=1S/C21H21NO2S/c1-4-19-15(3)13-20(25-19)21(23)22-16-8-10-17(11-9-16)24-18-7-5-6-14(2)12-18/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyOCTKSWVDGXYJJF-UHFFFAOYSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 27228669
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 87005827
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644
2-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 52577778
N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 7925023
4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 7603352
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide (CID 7925009) is 5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide is CCc1sc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is OCTKSWVDGXYJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-4-19-15(3)13-20(25-19)21(23)22-16-8-10-17(11-9-16)24-18-7-5-6-14(2)12-18/h5-13H,4H2,1-3H3,(H,22,23).
What are the key properties of 5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide?
5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 7925009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).