5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide

C14H17F3N2O2S — CID 18291995

IUPAC5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C14H17F3N2O2S/c1-8(20)18-12-6-5-11(22-12)13(21)19-10-4-2-3-9(7-10)14(15,16)17/h5-6,9-10H,2-4,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyJOVBJZXAMFACPI-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.56
Rot. Bonds3

About 5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide

5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 18291995) has the molecular formula C14H17F3N2O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
PubChem CID18291995
Molecular FormulaC14H17F3N2O2S
Molecular Weight334.36 g/mol
Exact Mass334.10
IUPAC Name5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C14H17F3N2O2S/c1-8(20)18-12-6-5-11(22-12)13(21)19-10-4-2-3-9(7-10)14(15,16)17/h5-6,9-10H,2-4,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyJOVBJZXAMFACPI-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (CID 18291995) is 5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC2CCCC(C(F)(F)F)C2)s1.
What is the InChIKey of 5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is JOVBJZXAMFACPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2S/c1-8(20)18-12-6-5-11(22-12)13(21)19-10-4-2-3-9(7-10)14(15,16)17/h5-6,9-10H,2-4,7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 334.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 18291995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).