2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide

C11H13N3O2S — CID 19685769

IUPAC2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)CC#N)c1C(N)=O
InChIInChI=1S/C11H13N3O2S/c1-3-7-6(2)17-11(9(7)10(13)16)14-8(15)4-5-12/h3-4H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyDBXQBEDXIZBAOR-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.57
Rot. Bonds4

About 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide

2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide (PubChem CID 19685769) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
PubChem CID19685769
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)CC#N)c1C(N)=O
InChIInChI=1S/C11H13N3O2S/c1-3-7-6(2)17-11(9(7)10(13)16)14-8(15)4-5-12/h3-4H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyDBXQBEDXIZBAOR-UHFFFAOYSA-N
XLogP1.57
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 28638080
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
4-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 844708
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
diethyl 5-[(2-cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5070990
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide
CID 3459397
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174214
4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid
CID 843835
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673535
2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 4766562
ethyl 2-[(2-bromoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 60651187

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide (CID 19685769) is 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)CC#N)c1C(N)=O.
What is the InChIKey of 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The InChIKey is DBXQBEDXIZBAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-7-6(2)17-11(9(7)10(13)16)14-8(15)4-5-12/h3-4H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 19685769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).