N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide

C14H11F3N2O2S — CID 108934166

IUPACN-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1NC(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)13(21)19-10-5-2-1-4-9(10)8-18-12(20)11-6-3-7-22-11/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyOSTPUHXUMSJNFD-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.18
Rot. Bonds4

About N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide

N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 108934166) has the molecular formula C14H11F3N2O2S and a molecular weight of 328.32 g/mol. Its IUPAC name is N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
PubChem CID108934166
Molecular FormulaC14H11F3N2O2S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC NameN-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1NC(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)13(21)19-10-5-2-1-4-9(10)8-18-12(20)11-6-3-7-22-11/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyOSTPUHXUMSJNFD-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
CID 108934218
3-hydroxy-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934226
3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934210
N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934266
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934154
3,4-dichloro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933986
2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934234
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108934336
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 2811204

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide (CID 108934166) is N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1NC(=O)C(F)(F)F)c1cccs1.
What is the InChIKey of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is OSTPUHXUMSJNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2S/c15-14(16,17)13(21)19-10-5-2-1-4-9(10)8-18-12(20)11-6-3-7-22-11/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide?
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 108934166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).