N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H8F3N3OS — CID 78914883

IUPACN-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESN#Cc1ccsc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H8F3N3OS/c10-9(11,12)5-14-4-7(16)15-8-6(3-13)1-2-17-8/h1-2,14H,4-5H2,(H,15,16)
InChIKeyUQCVVPNYUFIAHO-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.71
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914883) has the molecular formula C9H8F3N3OS and a molecular weight of 263.24 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914883
Molecular FormulaC9H8F3N3OS
Molecular Weight263.24 g/mol
Exact Mass263.03
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESN#Cc1ccsc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H8F3N3OS/c10-9(11,12)5-14-4-7(16)15-8-6(3-13)1-2-17-8/h1-2,14H,4-5H2,(H,15,16)
InChIKeyUQCVVPNYUFIAHO-UHFFFAOYSA-N
XLogP1.71
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914883) is N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is N#Cc1ccsc1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is UQCVVPNYUFIAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3OS/c10-9(11,12)5-14-4-7(16)15-8-6(3-13)1-2-17-8/h1-2,14H,4-5H2,(H,15,16).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 263.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).