4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide

C14H12F3NO2S2 — CID 90613215

IUPAC4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCc1ccc(C(=O)c2ccsc2)s1
InChIInChI=1S/C14H12F3NO2S2/c15-14(16,17)5-3-12(19)18-7-10-1-2-11(22-10)13(20)9-4-6-21-8-9/h1-2,4,6,8H,3,5,7H2,(H,18,19)
InChIKeyCLQYZXBSYWQNCY-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.00
Rot. Bonds6

About 4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide

4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide (PubChem CID 90613215) has the molecular formula C14H12F3NO2S2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
PubChem CID90613215
Molecular FormulaC14H12F3NO2S2
Molecular Weight347.38 g/mol
Exact Mass347.03
IUPAC Name4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCc1ccc(C(=O)c2ccsc2)s1
InChIInChI=1S/C14H12F3NO2S2/c15-14(16,17)5-3-12(19)18-7-10-1-2-11(22-10)13(20)9-4-6-21-8-9/h1-2,4,6,8H,3,5,7H2,(H,18,19)
InChIKeyCLQYZXBSYWQNCY-UHFFFAOYSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide
CID 90612512
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 72717594
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612529
4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612509
2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717694
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695
ethyl 2-oxo-2-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylamino]acetate
CID 90612492
2,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612528
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717693
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
3,4-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717589

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide (CID 90613215) is 4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide is O=C(CCC(F)(F)F)NCc1ccc(C(=O)c2ccsc2)s1.
What is the InChIKey of 4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide?
The InChIKey is CLQYZXBSYWQNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S2/c15-14(16,17)5-3-12(19)18-7-10-1-2-11(22-10)13(20)9-4-6-21-8-9/h1-2,4,6,8H,3,5,7H2,(H,18,19).
What are the key properties of 4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide?
4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide has a molecular weight of 347.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide is sourced from PubChem (CID 90613215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).