N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide

C20H18F3NO3S — CID 177044165

IUPACN-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide
SMILESCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)C1=CCS(=O)(=O)C1
InChIInChI=1S/C20H18F3NO3S/c1-24(19(25)17-10-11-28(26,27)13-17)12-14-2-4-15(5-3-14)16-6-8-18(9-7-16)20(21,22)23/h2-10H,11-13H2,1H3
InChIKeyMOUGHORTUFQNEK-UHFFFAOYSA-N
MW409.43 g/mol
LogP3.69
Rot. Bonds4

About N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide

N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide (PubChem CID 177044165) has the molecular formula C20H18F3NO3S and a molecular weight of 409.43 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide
PubChem CID177044165
Molecular FormulaC20H18F3NO3S
Molecular Weight409.43 g/mol
Exact Mass409.10
IUPAC NameN-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide
SMILESCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)C1=CCS(=O)(=O)C1
InChIInChI=1S/C20H18F3NO3S/c1-24(19(25)17-10-11-28(26,27)13-17)12-14-2-4-15(5-3-14)16-6-8-18(9-7-16)20(21,22)23/h2-10H,11-13H2,1H3
InChIKeyMOUGHORTUFQNEK-UHFFFAOYSA-N
XLogP3.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide with MolForge

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Related Compounds

N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 59836602
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide
CID 102603438
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55383206
N,4-dimethyl-3,5-dinitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31184802
6-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 134031313
N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 142134445
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 115448413

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide?
The IUPAC name of N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide (CID 177044165) is N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide.
What is the SMILES notation for N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide?
The canonical SMILES for N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide is CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)C1=CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide?
The InChIKey is MOUGHORTUFQNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO3S/c1-24(19(25)17-10-11-28(26,27)13-17)12-14-2-4-15(5-3-14)16-6-8-18(9-7-16)20(21,22)23/h2-10H,11-13H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide?
N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide has a molecular weight of 409.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2,5-dihydrothiophene-3-carboxamide is sourced from PubChem (CID 177044165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).