2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide

C11H11N3OS — CID 1245387

IUPAC2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide
SMILESCCc1c(C)sc(NC(=O)CC#N)c1C#N
InChIInChI=1S/C11H11N3OS/c1-3-8-7(2)16-11(9(8)6-13)14-10(15)4-5-12/h3-4H2,1-2H3,(H,14,15)
InChIKeyJTCLAUGHTOEEQY-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.34
Rot. Bonds3

About 2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide

2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide (PubChem CID 1245387) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide
PubChem CID1245387
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide
SMILESCCc1c(C)sc(NC(=O)CC#N)c1C#N
InChIInChI=1S/C11H11N3OS/c1-3-8-7(2)16-11(9(8)6-13)14-10(15)4-5-12/h3-4H2,1-2H3,(H,14,15)
InChIKeyJTCLAUGHTOEEQY-UHFFFAOYSA-N
XLogP2.34
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

hGCGR antagonist
CID 619101
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 676715
2-Chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 1992011
3-[(3-Cyano-4,5-dimethylthiophen-2-yl)carbamoyl]propanoic acid
CID 785020
N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide
CID 3160709
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
CID 645308
N-(3-cyano-4,5-dimethyl-2-thienyl)cyclopentanecarboxamide
CID 903195
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylpropanamide
CID 4613462
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 290230
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide
CID 694422
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide
CID 726183
3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
CID 1714004

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide?
The IUPAC name of 2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide (CID 1245387) is 2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide is CCc1c(C)sc(NC(=O)CC#N)c1C#N.
What is the InChIKey of 2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide?
The InChIKey is JTCLAUGHTOEEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-3-8-7(2)16-11(9(8)6-13)14-10(15)4-5-12/h3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide?
2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide has a molecular weight of 233.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide is sourced from PubChem (CID 1245387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).