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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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylacetamide
CID 684674
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597271
N-(3-cyano-5-methyl-4-phenylthien-2-yl)cyclohexanecarboxamide
CID 1225338
N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
CID 2137683
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide
CID 767327
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide
CID 1247091
2-[benzyl(methyl)amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 2468190
N-[4-(4-sec-butylphenyl)-3-cyano-5-methyl-2-thienyl]butanamide
CID 4586733
N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-(4-methylphenyl)propana mide
CID 16644244
N-[3-cyano-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-2-phenylacetamide hydrochloride
CID 16798214
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methylphenyl)propanamide
CID 57399213
N-(3-cyanothiophen-2-yl)-2-phenylbutanamide
CID 2970457

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).