N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide

C14H11F6N3O3S2 — CID 75093174

IUPACN-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
SMILESCC(C(=O)NS(=O)(=O)C(F)(F)F)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C14H11F6N3O3S2/c1-7(11(24)23-28(25,26)14(18,19)20)8-2-4-9(5-3-8)21-12-22-10(6-27-12)13(15,16)17/h2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyDLQFPTRXWJKNDG-UHFFFAOYSA-N
MW447.38 g/mol
LogP3.97
Rot. Bonds5

About N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide

N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide (PubChem CID 75093174) has the molecular formula C14H11F6N3O3S2 and a molecular weight of 447.38 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
PubChem CID75093174
Molecular FormulaC14H11F6N3O3S2
Molecular Weight447.38 g/mol
Exact Mass447.01
IUPAC NameN-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
SMILESCC(C(=O)NS(=O)(=O)C(F)(F)F)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C14H11F6N3O3S2/c1-7(11(24)23-28(25,26)14(18,19)20)8-2-4-9(5-3-8)21-12-22-10(6-27-12)13(15,16)17/h2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyDLQFPTRXWJKNDG-UHFFFAOYSA-N
XLogP3.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
The IUPAC name of N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide (CID 75093174) is N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide is CC(C(=O)NS(=O)(=O)C(F)(F)F)c1ccc(Nc2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
The InChIKey is DLQFPTRXWJKNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3O3S2/c1-7(11(24)23-28(25,26)14(18,19)20)8-2-4-9(5-3-8)21-12-22-10(6-27-12)13(15,16)17/h2-7H,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide?
N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide has a molecular weight of 447.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 75093174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).