N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

C16H14F3N3OS — CID 9221696

IUPACN-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)Nc1sccc1C#N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3OS/c1-22(9-11-2-4-13(5-3-11)16(17,18)19)10-14(23)21-15-12(8-20)6-7-24-15/h2-7H,9-10H2,1H3,(H,21,23)
InChIKeyZPQUZRMQUUBQSE-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.71
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 9221696) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID9221696
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)Nc1sccc1C#N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3OS/c1-22(9-11-2-4-13(5-3-11)16(17,18)19)10-14(23)21-15-12(8-20)6-7-24-15/h2-7H,9-10H2,1H3,(H,21,23)
InChIKeyZPQUZRMQUUBQSE-UHFFFAOYSA-N
XLogP3.71
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028916
N-(3-cyanothiophen-2-yl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide
CID 55861159
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442383
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987126
N-(3-cyanothiophen-2-yl)-3-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8761244
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79652535
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 16593722
N-(3-cyanothiophen-2-yl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692603
4-[[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-cyclopropylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 36926756
ethyl 3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011639
N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 26387602

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 9221696) is N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is CN(CC(=O)Nc1sccc1C#N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is ZPQUZRMQUUBQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c1-22(9-11-2-4-13(5-3-11)16(17,18)19)10-14(23)21-15-12(8-20)6-7-24-15/h2-7H,9-10H2,1H3,(H,21,23).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 353.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 9221696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).