N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide

C16H16N2OS — CID 47161800

IUPACN-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(C#N)cc2)c(C)s1
InChIInChI=1S/C16H16N2OS/c1-10-8-15(12(3)20-10)16(19)18-11(2)14-6-4-13(9-17)5-7-14/h4-8,11H,1-3H3,(H,18,19)
InChIKeyDMUGZVGXODXBOG-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.73
Rot. Bonds3

About N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide

N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 47161800) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID47161800
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(C#N)cc2)c(C)s1
InChIInChI=1S/C16H16N2OS/c1-10-8-15(12(3)20-10)16(19)18-11(2)14-6-4-13(9-17)5-7-14/h4-8,11H,1-3H3,(H,18,19)
InChIKeyDMUGZVGXODXBOG-UHFFFAOYSA-N
XLogP3.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 55582791
4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide
CID 47161738
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
2-bromo-N-[1-(4-cyanophenyl)ethyl]-5-fluorobenzamide
CID 60736786
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide
CID 106852686
N-[1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 86785759
N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 99853114
2-amino-3-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 115540145
4-cyano-2-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 7393089

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide (CID 47161800) is N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)NC(C)c2ccc(C#N)cc2)c(C)s1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is DMUGZVGXODXBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-8-15(12(3)20-10)16(19)18-11(2)14-6-4-13(9-17)5-7-14/h4-8,11H,1-3H3,(H,18,19).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide?
N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 47161800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).