2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide

C15H15N3OS — CID 61252850

IUPAC2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
SMILESCc1sc(NC(=O)C(N)c2ccccc2)c(C#N)c1C
InChIInChI=1S/C15H15N3OS/c1-9-10(2)20-15(12(9)8-16)18-14(19)13(17)11-6-4-3-5-7-11/h3-7,13H,17H2,1-2H3,(H,18,19)
InChIKeySSMUEGBSRBQLFQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.88
Rot. Bonds3

About 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide

2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide (PubChem CID 61252850) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
PubChem CID61252850
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
SMILESCc1sc(NC(=O)C(N)c2ccccc2)c(C#N)c1C
InChIInChI=1S/C15H15N3OS/c1-9-10(2)20-15(12(9)8-16)18-14(19)13(17)11-6-4-3-5-7-11/h3-7,13H,17H2,1-2H3,(H,18,19)
InChIKeySSMUEGBSRBQLFQ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide?
The IUPAC name of 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide (CID 61252850) is 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide is Cc1sc(NC(=O)C(N)c2ccccc2)c(C#N)c1C.
What is the InChIKey of 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide?
The InChIKey is SSMUEGBSRBQLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-10(2)20-15(12(9)8-16)18-14(19)13(17)11-6-4-3-5-7-11/h3-7,13H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide?
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide has a molecular weight of 285.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide is sourced from PubChem (CID 61252850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).