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

C16H17F3N2O3S2 — CID 56548767

IUPACN-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCC(Cc1ccsc1)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O3S2/c1-11(7-12-5-6-25-10-12)21-15(22)9-20-26(23,24)14-4-2-3-13(8-14)16(17,18)19/h2-6,8,10-11,20H,7,9H2,1H3,(H,21,22)
InChIKeyUVMKDSYHGXMGNS-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.79
Rot. Bonds7

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

N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 56548767) has the molecular formula C16H17F3N2O3S2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID56548767
Molecular FormulaC16H17F3N2O3S2
Molecular Weight406.45 g/mol
Exact Mass406.06
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCC(Cc1ccsc1)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O3S2/c1-11(7-12-5-6-25-10-12)21-15(22)9-20-26(23,24)14-4-2-3-13(8-14)16(17,18)19/h2-6,8,10-11,20H,7,9H2,1H3,(H,21,22)
InChIKeyUVMKDSYHGXMGNS-UHFFFAOYSA-N
XLogP2.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540035
3-methyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119169773
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide
CID 56548673
N-[[4-(methoxymethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545971
N-(2-ethylsulfonylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550783
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 99981469
2-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537664
N-[2-(ethylamino)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 119509116
N-(3-bromobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 113271804
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55547144
4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119170505

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 56548767) is N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is CC(Cc1ccsc1)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is UVMKDSYHGXMGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3S2/c1-11(7-12-5-6-25-10-12)21-15(22)9-20-26(23,24)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)phenyl]sulfonylamino]acetamide?
N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 406.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 56548767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).