2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide

C17H21NOS — CID 47113989

IUPAC2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide
SMILESCCC(CNC(=O)c1cc(C)sc1C)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-4-14(15-8-6-5-7-9-15)11-18-17(19)16-10-12(2)20-13(16)3/h5-10,14H,4,11H2,1-3H3,(H,18,19)
InChIKeyXSDRZDFVSYUHMV-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.29
Rot. Bonds5

About 2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide

2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide (PubChem CID 47113989) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide
PubChem CID47113989
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide
SMILESCCC(CNC(=O)c1cc(C)sc1C)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-4-14(15-8-6-5-7-9-15)11-18-17(19)16-10-12(2)20-13(16)3/h5-10,14H,4,11H2,1-3H3,(H,18,19)
InChIKeyXSDRZDFVSYUHMV-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
CID 26687345
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
N-(2-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
CID 43393371
2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
CID 55391050
1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one
CID 43339474
2-phenylbutylurea
CID 137320233
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide
CID 95738529
2-[cyclopropanecarbonyl(methyl)amino]-N-(2-phenylbutyl)benzamide
CID 46494345
3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
CID 51213384
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741
1-oxido-N-(2-phenylbutyl)pyridin-1-ium-4-carboxamide
CID 47110917

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide (CID 47113989) is 2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide is CCC(CNC(=O)c1cc(C)sc1C)c1ccccc1.
What is the InChIKey of 2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide?
The InChIKey is XSDRZDFVSYUHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-4-14(15-8-6-5-7-9-15)11-18-17(19)16-10-12(2)20-13(16)3/h5-10,14H,4,11H2,1-3H3,(H,18,19).
What are the key properties of 2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide?
2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide has a molecular weight of 287.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide is sourced from PubChem (CID 47113989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).