N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide

C19H22FNO2S — CID 122141275

IUPACN-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)N(C)C2CCOC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C19H22FNO2S/c1-12-13(2)24-11-17(12)19(22)21(3)16-8-9-23-18(10-16)14-4-6-15(20)7-5-14/h4-7,11,16,18H,8-10H2,1-3H3
InChIKeyPYIYJGYTCRDEIV-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.50
Rot. Bonds3

About N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide

N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide (PubChem CID 122141275) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide
PubChem CID122141275
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC NameN-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)N(C)C2CCOC(c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C19H22FNO2S/c1-12-13(2)24-11-17(12)19(22)21(3)16-8-9-23-18(10-16)14-4-6-15(20)7-5-14/h4-7,11,16,18H,8-10H2,1-3H3
InChIKeyPYIYJGYTCRDEIV-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide (CID 122141275) is N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide is Cc1scc(C(=O)N(C)C2CCOC(c3ccc(F)cc3)C2)c1C.
What is the InChIKey of N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide?
The InChIKey is PYIYJGYTCRDEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-12-13(2)24-11-17(12)19(22)21(3)16-8-9-23-18(10-16)14-4-6-15(20)7-5-14/h4-7,11,16,18H,8-10H2,1-3H3.
What are the key properties of N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide?
N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)oxan-4-yl]-N,4,5-trimethylthiophene-3-carboxamide is sourced from PubChem (CID 122141275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).