3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C13H8F3N3OS — CID 115910932

IUPAC3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NC(=O)c1sccc1N
InChIInChI=1S/C13H8F3N3OS/c14-13(15,16)8-1-2-10(7(5-8)6-17)19-12(20)11-9(18)3-4-21-11/h1-5H,18H2,(H,19,20)
InChIKeyZVTWWBGLKCIOPJ-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.47
Rot. Bonds2

About 3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 115910932) has the molecular formula C13H8F3N3OS and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID115910932
Molecular FormulaC13H8F3N3OS
Molecular Weight311.29 g/mol
Exact Mass311.03
IUPAC Name3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NC(=O)c1sccc1N
InChIInChI=1S/C13H8F3N3OS/c14-13(15,16)8-1-2-10(7(5-8)6-17)19-12(20)11-9(18)3-4-21-11/h1-5H,18H2,(H,19,20)
InChIKeyZVTWWBGLKCIOPJ-UHFFFAOYSA-N
XLogP3.47
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
CID 114002425
3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide
CID 81498968
(2S)-2-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]butanamide
CID 103930468
N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 115911287
2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 112556074
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
3-[2-cyano-4-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898911
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 112556172
N-[2-cyano-4-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115911270
N-[2-cyano-4-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 103117861
2-[[2-cyano-4-(trifluoromethyl)phenyl]carbamoylamino]acetic acid
CID 115911428

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 115910932) is 3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is N#Cc1cc(C(F)(F)F)ccc1NC(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is ZVTWWBGLKCIOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3OS/c14-13(15,16)8-1-2-10(7(5-8)6-17)19-12(20)11-9(18)3-4-21-11/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 311.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 115910932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).