N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C21H18F3N3O4S2 — CID 24684885

IUPACN-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C21H18F3N3O4S2/c1-27(20(29)18-7-4-12-32-18)17-6-3-2-5-16(17)19(28)26-14-8-10-15(11-9-14)33(30,31)25-13-21(22,23)24/h2-12,25H,13H2,1H3,(H,26,28)
InChIKeySDGBIYSUUICAIG-UHFFFAOYSA-N
MW497.52 g/mol
LogP4.12
Rot. Bonds7

About N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 24684885) has the molecular formula C21H18F3N3O4S2 and a molecular weight of 497.52 g/mol. Its IUPAC name is N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID24684885
Molecular FormulaC21H18F3N3O4S2
Molecular Weight497.52 g/mol
Exact Mass497.07
IUPAC NameN-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C21H18F3N3O4S2/c1-27(20(29)18-7-4-12-32-18)17-6-3-2-5-16(17)19(28)26-14-8-10-15(11-9-14)33(30,31)25-13-21(22,23)24/h2-12,25H,13H2,1H3,(H,26,28)
InChIKeySDGBIYSUUICAIG-UHFFFAOYSA-N
XLogP4.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35706356
N-methyl-N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24684787
(E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide
CID 9474835
N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 24684951
6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide
CID 56581337
1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 55791000
N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35707422
N-[2-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35743676
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474816
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 38769819

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 24684885) is N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SDGBIYSUUICAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4S2/c1-27(20(29)18-7-4-12-32-18)17-6-3-2-5-16(17)19(28)26-14-8-10-15(11-9-14)33(30,31)25-13-21(22,23)24/h2-12,25H,13H2,1H3,(H,26,28).
What are the key properties of N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 497.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24684885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).