N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C20H17F3N2O3S2 — CID 55347513

IUPACN-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H17F3N2O3S2/c1-25(13-14-4-8-16(9-5-14)20(21,22)23)19(26)15-6-10-17(11-7-15)24-30(27,28)18-3-2-12-29-18/h2-12,24H,13H2,1H3
InChIKeyUGPMHQPMYITUSA-UHFFFAOYSA-N
MW454.50 g/mol
LogP4.84
Rot. Bonds6

About N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 55347513) has the molecular formula C20H17F3N2O3S2 and a molecular weight of 454.50 g/mol. Its IUPAC name is N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID55347513
Molecular FormulaC20H17F3N2O3S2
Molecular Weight454.50 g/mol
Exact Mass454.06
IUPAC NameN-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H17F3N2O3S2/c1-25(13-14-4-8-16(9-5-14)20(21,22)23)19(26)15-6-10-17(11-7-15)24-30(27,28)18-3-2-12-29-18/h2-12,24H,13H2,1H3
InChIKeyUGPMHQPMYITUSA-UHFFFAOYSA-N
XLogP4.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55787151
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 31843072
4-[(3,4-difluorophenyl)sulfonylamino]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 26619602
N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 26555339
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide
CID 2360837
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55490725
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 99956135

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 55347513) is N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is UGPMHQPMYITUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3S2/c1-25(13-14-4-8-16(9-5-14)20(21,22)23)19(26)15-6-10-17(11-7-15)24-30(27,28)18-3-2-12-29-18/h2-12,24H,13H2,1H3.
What are the key properties of N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 454.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55347513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).