N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

C15H15N3OS — CID 8965374

IUPACN-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1C#N)Cc1cccs1
InChIInChI=1S/C15H15N3OS/c1-18(10-13-6-4-8-20-13)11-15(19)17-14-7-3-2-5-12(14)9-16/h2-8H,10-11H2,1H3,(H,17,19)
InChIKeyKXRRZHNLWAGPMC-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.69
Rot. Bonds5

About N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8965374) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8965374
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1C#N)Cc1cccs1
InChIInChI=1S/C15H15N3OS/c1-18(10-13-6-4-8-20-13)11-15(19)17-14-7-3-2-5-12(14)9-16/h2-8H,10-11H2,1H3,(H,17,19)
InChIKeyKXRRZHNLWAGPMC-UHFFFAOYSA-N
XLogP2.69
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide
CID 8965861
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
CID 2657318
N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2657488
N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656670
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965875
ethyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]acetate
CID 62011415
N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 63207235
N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17441369
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965256
N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 37465986

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 8965374) is N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is CN(CC(=O)Nc1ccccc1C#N)Cc1cccs1.
What is the InChIKey of N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is KXRRZHNLWAGPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18(10-13-6-4-8-20-13)11-15(19)17-14-7-3-2-5-12(14)9-16/h2-8H,10-11H2,1H3,(H,17,19).
What are the key properties of N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 285.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8965374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).