N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide

C10H12N2OS — CID 78989474

IUPACN-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(C)C#N
InChIInChI=1S/C10H12N2OS/c1-3-8-4-5-14-9(8)10(13)12-7(2)6-11/h4-5,7H,3H2,1-2H3,(H,12,13)
InChIKeyCEDZLUBSFHYKPN-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.95
Rot. Bonds3

About N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide

N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide (PubChem CID 78989474) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide
PubChem CID78989474
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(C)C#N
InChIInChI=1S/C10H12N2OS/c1-3-8-4-5-14-9(8)10(13)12-7(2)6-11/h4-5,7H,3H2,1-2H3,(H,12,13)
InChIKeyCEDZLUBSFHYKPN-UHFFFAOYSA-N
XLogP1.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-3-ethylthiophene-2-carboxamide
CID 104872864
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
3-ethyl-N-hex-5-yn-3-ylthiophene-2-carboxamide
CID 115647216
3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide
CID 109479175
3-[(3-ethylthiophene-2-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219102
tert-butyl (2S)-2-[(3-ethylthiophene-2-carbonyl)amino]-3-methylbutanoate
CID 80701845
(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 55229401
N-[(1S)-1-cyanoethyl]-1,3-thiazole-2-carboxamide
CID 130629014
N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
CID 79985275
N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide
CID 95329442
N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide
CID 62046686
N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide
CID 113274753

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide (CID 78989474) is N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NC(C)C#N.
What is the InChIKey of N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is CEDZLUBSFHYKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-3-8-4-5-14-9(8)10(13)12-7(2)6-11/h4-5,7H,3H2,1-2H3,(H,12,13).
What are the key properties of N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide?
N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 208.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 78989474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).