N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide

C17H21NOS — CID 18082264

IUPACN-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2c(C)cccc2C)sc1C
InChIInChI=1S/C17H21NOS/c1-5-7-14-10-15(20-13(14)4)17(19)18-16-11(2)8-6-9-12(16)3/h6,8-10H,5,7H2,1-4H3,(H,18,19)
InChIKeyVESZOPDSRHIQEO-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.88
Rot. Bonds4

About N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide

N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 18082264) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID18082264
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2c(C)cccc2C)sc1C
InChIInChI=1S/C17H21NOS/c1-5-7-14-10-15(20-13(14)4)17(19)18-16-11(2)8-6-9-12(16)3/h6,8-10H,5,7H2,1-4H3,(H,18,19)
InChIKeyVESZOPDSRHIQEO-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 27760041
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26218789
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 4828452
4-ethyl-5-methyl-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 26085892
3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43356574
N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9370107
N-(2,4-difluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9209398
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide
CID 27991579
N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 134059555

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide (CID 18082264) is N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)Nc2c(C)cccc2C)sc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is VESZOPDSRHIQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-5-7-14-10-15(20-13(14)4)17(19)18-16-11(2)8-6-9-12(16)3/h6,8-10H,5,7H2,1-4H3,(H,18,19).
What are the key properties of N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide?
N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 287.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 18082264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).