5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide

C15H12BrF3N2O3S — CID 55833327

IUPAC5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12BrF3N2O3S/c1-8(20-14(23)11-6-7-12(16)25-11)13(22)21-9-2-4-10(5-3-9)24-15(17,18)19/h2-8H,1H3,(H,20,23)(H,21,22)
InChIKeyVNJMXOLMXAUIJU-UHFFFAOYSA-N
MW437.24 g/mol
LogP4.17
Rot. Bonds5

About 5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 55833327) has the molecular formula C15H12BrF3N2O3S and a molecular weight of 437.24 g/mol. Its IUPAC name is 5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
PubChem CID55833327
Molecular FormulaC15H12BrF3N2O3S
Molecular Weight437.24 g/mol
Exact Mass435.97
IUPAC Name5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12BrF3N2O3S/c1-8(20-14(23)11-6-7-12(16)25-11)13(22)21-9-2-4-10(5-3-9)24-15(17,18)19/h2-8H,1H3,(H,20,23)(H,21,22)
InChIKeyVNJMXOLMXAUIJU-UHFFFAOYSA-N
XLogP4.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714
5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55831882
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
CID 55832504
N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
CID 51963667
5-bromo-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55833038
5-bromo-N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55832847
5-bromo-N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55946496
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 80542337
5-bromo-4-methyl-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 79999376

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide (CID 55833327) is 5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is VNJMXOLMXAUIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2O3S/c1-8(20-14(23)11-6-7-12(16)25-11)13(22)21-9-2-4-10(5-3-9)24-15(17,18)19/h2-8H,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 437.24 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55833327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).