N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide

C16H15F3N2O2S — CID 138053715

IUPACN-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide
SMILESCC(CC(N)=O)c1ccc(NC(=O)c2csc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H15F3N2O2S/c1-9(6-14(20)22)10-2-4-12(5-3-10)21-15(23)11-7-13(24-8-11)16(17,18)19/h2-5,7-9H,6H2,1H3,(H2,20,22)(H,21,23)
InChIKeyNQYMZYALBVOBEH-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.00
Rot. Bonds5

About N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide

N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 138053715) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID138053715
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide
SMILESCC(CC(N)=O)c1ccc(NC(=O)c2csc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H15F3N2O2S/c1-9(6-14(20)22)10-2-4-12(5-3-10)21-15(23)11-7-13(24-8-11)16(17,18)19/h2-5,7-9H,6H2,1H3,(H2,20,22)(H,21,23)
InChIKeyNQYMZYALBVOBEH-UHFFFAOYSA-N
XLogP4.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(thiadiazole-4-carbonylamino)phenyl]butanoic acid
CID 104501495
3-amino-N-(4-butan-2-ylphenyl)benzamide
CID 20667037
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
3-[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]butanoic acid
CID 21191400
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 87395828
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
1,2-bis[5-(trifluoromethyl)thiophen-3-yl]ethane-1,2-dione
CID 155978460
N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 110834051
3-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 5224241
N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 136567344
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide (CID 138053715) is N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide is CC(CC(N)=O)c1ccc(NC(=O)c2csc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is NQYMZYALBVOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-9(6-14(20)22)10-2-4-12(5-3-10)21-15(23)11-7-13(24-8-11)16(17,18)19/h2-5,7-9H,6H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide?
N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 138053715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).