2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide

C18H20F3N3O3S — CID 78792819

IUPAC2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C(=O)NCC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H20F3N3O3S/c1-12-3-9-16(10-4-12)28(26,27)24-15-7-5-14(6-8-15)23-13(2)17(25)22-11-18(19,20)21/h3-10,13,23-24H,11H2,1-2H3,(H,22,25)
InChIKeyHXPVPPPIOCDUBR-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.27
Rot. Bonds7

About 2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide

2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78792819) has the molecular formula C18H20F3N3O3S and a molecular weight of 415.44 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78792819
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.44 g/mol
Exact Mass415.12
IUPAC Name2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(C)C(=O)NCC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H20F3N3O3S/c1-12-3-9-16(10-4-12)28(26,27)24-15-7-5-14(6-8-15)23-13(2)17(25)22-11-18(19,20)21/h3-10,13,23-24H,11H2,1-2H3,(H,22,25)
InChIKeyHXPVPPPIOCDUBR-UHFFFAOYSA-N
XLogP3.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)sulfonylamino]anilino]propanamide
CID 86918995
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511770
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 86919769
N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide
CID 17478192
(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41153856
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 144745057
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide (CID 78792819) is 2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(C)C(=O)NCC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HXPVPPPIOCDUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3S/c1-12-3-9-16(10-4-12)28(26,27)24-15-7-5-14(6-8-15)23-13(2)17(25)22-11-18(19,20)21/h3-10,13,23-24H,11H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 415.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78792819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).