5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide

C21H21NOS — CID 53388307

IUPAC5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C)c(-c2ccc(C(=O)Nc3c(C)cccc3C)s2)c1
InChIInChI=1S/C21H21NOS/c1-13-8-9-14(2)17(12-13)18-10-11-19(24-18)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
InChIKeyGEJJRBDCCFHTMM-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.90
Rot. Bonds3

About 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide

5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide (PubChem CID 53388307) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
PubChem CID53388307
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C)c(-c2ccc(C(=O)Nc3c(C)cccc3C)s2)c1
InChIInChI=1S/C21H21NOS/c1-13-8-9-14(2)17(12-13)18-10-11-19(24-18)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
InChIKeyGEJJRBDCCFHTMM-UHFFFAOYSA-N
XLogP5.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide (CID 53388307) is 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide is Cc1ccc(C)c(-c2ccc(C(=O)Nc3c(C)cccc3C)s2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide?
The InChIKey is GEJJRBDCCFHTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-13-8-9-14(2)17(12-13)18-10-11-19(24-18)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23).
What are the key properties of 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide?
5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 53388307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).