2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide

C14H13N3OS — CID 107805098

IUPAC2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCc1cccc(NC(=O)C(N)c2cccs2)c1C#N
InChIInChI=1S/C14H13N3OS/c1-9-4-2-5-11(10(9)8-15)17-14(18)13(16)12-6-3-7-19-12/h2-7,13H,16H2,1H3,(H,17,18)
InChIKeyXNFYOLRTBAPACL-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.57
Rot. Bonds3

About 2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide

2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 107805098) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide
PubChem CID107805098
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCc1cccc(NC(=O)C(N)c2cccs2)c1C#N
InChIInChI=1S/C14H13N3OS/c1-9-4-2-5-11(10(9)8-15)17-14(18)13(16)12-6-3-7-19-12/h2-7,13H,16H2,1H3,(H,17,18)
InChIKeyXNFYOLRTBAPACL-UHFFFAOYSA-N
XLogP2.57
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyano-3-methylphenyl)propanamide
CID 107804990
2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
CID 115285851
N-(2-cyano-3-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107805244
1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
2-amino-2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 115285827
N-(2-cyano-3-methylphenyl)-2-methylpentanamide
CID 113241611
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
methyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbenzoate
CID 115286394
(2R)-2-[(2-cyano-3-methylphenyl)carbamoylamino]propanoic acid
CID 107799913
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
2-amino-N-[2-(2-methoxyethyl)phenyl]-2-thiophen-2-ylacetamide
CID 102905627
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide (CID 107805098) is 2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide is Cc1cccc(NC(=O)C(N)c2cccs2)c1C#N.
What is the InChIKey of 2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is XNFYOLRTBAPACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-4-2-5-11(10(9)8-15)17-14(18)13(16)12-6-3-7-19-12/h2-7,13H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide?
2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 271.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyano-3-methylphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 107805098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).