N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide

C11H14N2OS — CID 55028707

IUPACN-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)(C)C#N)s1
InChIInChI=1S/C11H14N2OS/c1-4-8-5-6-9(15-8)10(14)13-11(2,3)7-12/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyIRUFGQPAUPMSPI-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.34
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide

N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide (PubChem CID 55028707) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide
PubChem CID55028707
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)(C)C#N)s1
InChIInChI=1S/C11H14N2OS/c1-4-8-5-6-9(15-8)10(14)13-11(2,3)7-12/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyIRUFGQPAUPMSPI-UHFFFAOYSA-N
XLogP2.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropan-2-yl)-4-ethylbenzamide
CID 60967523
3-[(5-ethylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81368751
N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide
CID 54940554
N-(2-cyanopropan-2-yl)-1-benzothiophene-2-carboxamide
CID 60966657
4-[(5-ethylthiophene-2-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001322
N-(4-bromo-2,2-dimethylbutyl)-5-ethylthiophene-2-carboxamide
CID 106143771
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-one
CID 115780489
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-ethylthiophene-2-carboxamide
CID 106355739
N-[(2R)-1-aminopropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 104873084
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
2-[1-(5-ethylthiophen-2-yl)ethylidene]propanedinitrile
CID 130557368

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide (CID 55028707) is N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NC(C)(C)C#N)s1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide?
The InChIKey is IRUFGQPAUPMSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-8-5-6-9(15-8)10(14)13-11(2,3)7-12/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide?
N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide has a molecular weight of 222.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 55028707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).