N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide

C13H12N2OS2 — CID 1247526

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
SMILESCc1sc(NC(=O)Cc2cccs2)c(C#N)c1C
InChIInChI=1S/C13H12N2OS2/c1-8-9(2)18-13(11(8)7-14)15-12(16)6-10-4-3-5-17-10/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyBDLMBJRMTONAFP-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.48
Rot. Bonds3

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 1247526) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
PubChem CID1247526
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
SMILESCc1sc(NC(=O)Cc2cccs2)c(C#N)c1C
InChIInChI=1S/C13H12N2OS2/c1-8-9(2)18-13(11(8)7-14)15-12(16)6-10-4-3-5-17-10/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyBDLMBJRMTONAFP-UHFFFAOYSA-N
XLogP3.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-cyano-3-methyl-5-[(2-thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
CID 41340120
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 61111501
2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 17173428
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032
methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 41340119
N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thiophen-2-ylacetamide
CID 28692888
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 7287148
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108804375
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78908823

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide (CID 1247526) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide is Cc1sc(NC(=O)Cc2cccs2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is BDLMBJRMTONAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-8-9(2)18-13(11(8)7-14)15-12(16)6-10-4-3-5-17-10/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 276.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1247526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).