5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C17H16F3NO3S — CID 36667250

IUPAC5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C17H16F3NO3S/c1-3-8-24-13-5-4-11(17(18,19)20)9-12(13)21-16(23)15-7-6-14(25-15)10(2)22/h4-7,9H,3,8H2,1-2H3,(H,21,23)
InChIKeyYQVMFALIPBPBCI-UHFFFAOYSA-N
MW371.38 g/mol
LogP5.01
Rot. Bonds6

About 5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide

5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 36667250) has the molecular formula C17H16F3NO3S and a molecular weight of 371.38 g/mol. Its IUPAC name is 5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID36667250
Molecular FormulaC17H16F3NO3S
Molecular Weight371.38 g/mol
Exact Mass371.08
IUPAC Name5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C17H16F3NO3S/c1-3-8-24-13-5-4-11(17(18,19)20)9-12(13)21-16(23)15-7-6-14(25-15)10(2)22/h4-7,9H,3,8H2,1-2H3,(H,21,23)
InChIKeyYQVMFALIPBPBCI-UHFFFAOYSA-N
XLogP5.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.38
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 9088020
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
N-[2-propoxy-5-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 17398504
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 78777792
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 38905531
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 36667250) is 5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(C)=O)s1.
What is the InChIKey of 5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is YQVMFALIPBPBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3S/c1-3-8-24-13-5-4-11(17(18,19)20)9-12(13)21-16(23)15-7-6-14(25-15)10(2)22/h4-7,9H,3,8H2,1-2H3,(H,21,23).
What are the key properties of 5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 36667250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).