N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide

C16H17F3N2OS — CID 56540035

IUPACN-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCC(Cc1ccsc1)NC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2OS/c1-11(7-12-5-6-23-10-12)21-15(22)9-20-14-4-2-3-13(8-14)16(17,18)19/h2-6,8,10-11,20H,7,9H2,1H3,(H,21,22)
InChIKeyKVXQKOQJSRNPDH-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.93
Rot. Bonds6

About N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide

N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56540035) has the molecular formula C16H17F3N2OS and a molecular weight of 342.39 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56540035
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCC(Cc1ccsc1)NC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2OS/c1-11(7-12-5-6-23-10-12)21-15(22)9-20-14-4-2-3-13(8-14)16(17,18)19/h2-6,8,10-11,20H,7,9H2,1H3,(H,21,22)
InChIKeyKVXQKOQJSRNPDH-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548767
N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 86908674
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 25476161
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55973944
N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide
CID 139604579
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540384
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844325
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 56540035) is N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide is CC(Cc1ccsc1)NC(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is KVXQKOQJSRNPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c1-11(7-12-5-6-23-10-12)21-15(22)9-20-14-4-2-3-13(8-14)16(17,18)19/h2-6,8,10-11,20H,7,9H2,1H3,(H,21,22).
What are the key properties of N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 342.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56540035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).