2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

C15H15N3OS — CID 61111501

IUPAC2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)Cc2ccccc2N)c(C#N)c1C
InChIInChI=1S/C15H15N3OS/c1-9-10(2)20-15(12(9)8-16)18-14(19)7-11-5-3-4-6-13(11)17/h3-6H,7,17H2,1-2H3,(H,18,19)
InChIKeyBPGILGXWJPYVHW-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.00
Rot. Bonds3

About 2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (PubChem CID 61111501) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
PubChem CID61111501
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)Cc2ccccc2N)c(C#N)c1C
InChIInChI=1S/C15H15N3OS/c1-9-10(2)20-15(12(9)8-16)18-14(19)7-11-5-3-4-6-13(11)17/h3-6H,7,17H2,1-2H3,(H,18,19)
InChIKeyBPGILGXWJPYVHW-UHFFFAOYSA-N
XLogP3.00
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 17173428
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
CID 1247526
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 78821213
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 7287148
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 61252850
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide
CID 3610658
2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78825305
methyl 4-cyano-3-methyl-5-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate
CID 44918890

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (CID 61111501) is 2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)Cc2ccccc2N)c(C#N)c1C.
What is the InChIKey of 2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The InChIKey is BPGILGXWJPYVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-10(2)20-15(12(9)8-16)18-14(19)7-11-5-3-4-6-13(11)17/h3-6H,7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 61111501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).