2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide

C14H13N3OS — CID 115287216

IUPAC2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)C(N)c1cccs1)c1ccc(C#N)cc1
InChIInChI=1S/C14H13N3OS/c1-17(11-6-4-10(9-15)5-7-11)14(18)13(16)12-3-2-8-19-12/h2-8,13H,16H2,1H3
InChIKeyCMXCXRLDAPWURI-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide

2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 115287216) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide
PubChem CID115287216
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)C(N)c1cccs1)c1ccc(C#N)cc1
InChIInChI=1S/C14H13N3OS/c1-17(11-6-4-10(9-15)5-7-11)14(18)13(16)12-3-2-8-19-12/h2-8,13H,16H2,1H3
InChIKeyCMXCXRLDAPWURI-UHFFFAOYSA-N
XLogP2.28
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
CID 54981198
2-amino-N-methyl-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115285914
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287286
2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
CID 115286833
2-cyano-N-(4-cyanophenyl)-N-methylbutanamide
CID 62981149
2-amino-N,N-bis(2-amino-2-oxoethyl)-2-thiophen-2-ylacetamide
CID 113279235
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide
CID 115286741
1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
CID 65464094
N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide
CID 55141574

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide (CID 115287216) is 2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide is CN(C(=O)C(N)c1cccs1)c1ccc(C#N)cc1.
What is the InChIKey of 2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is CMXCXRLDAPWURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17(11-6-4-10(9-15)5-7-11)14(18)13(16)12-3-2-8-19-12/h2-8,13H,16H2,1H3.
What are the key properties of 2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide?
2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 271.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115287216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).