N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide

C24H24F3N3O5S3 — CID 67868982

IUPACN-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide
SMILESCCCc1nsc(NS(=O)(=O)C(F)(F)F)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CC2)cc1
InChIInChI=1S/C24H24F3N3O5S3/c1-2-5-20-19(23(36-28-20)30-38(34,35)24(25,26)27)14-15-8-10-16(11-9-15)18-6-3-4-7-21(18)37(32,33)29-22(31)17-12-13-17/h3-4,6-11,17,30H,2,5,12-14H2,1H3,(H,29,31)
InChIKeyTWLKCJZAEVEWHN-UHFFFAOYSA-N
MW587.67 g/mol
LogP4.83
Rot. Bonds10

About N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide

N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide (PubChem CID 67868982) has the molecular formula C24H24F3N3O5S3 and a molecular weight of 587.67 g/mol. Its IUPAC name is N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide
PubChem CID67868982
Molecular FormulaC24H24F3N3O5S3
Molecular Weight587.67 g/mol
Exact Mass587.08
IUPAC NameN-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide
SMILESCCCc1nsc(NS(=O)(=O)C(F)(F)F)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CC2)cc1
InChIInChI=1S/C24H24F3N3O5S3/c1-2-5-20-19(23(36-28-20)30-38(34,35)24(25,26)27)14-15-8-10-16(11-9-15)18-6-3-4-7-21(18)37(32,33)29-22(31)17-12-13-17/h3-4,6-11,17,30H,2,5,12-14H2,1H3,(H,29,31)
InChIKeyTWLKCJZAEVEWHN-UHFFFAOYSA-N
XLogP4.83
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.67
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide?
The IUPAC name of N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide (CID 67868982) is N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide is CCCc1nsc(NS(=O)(=O)C(F)(F)F)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide?
The InChIKey is TWLKCJZAEVEWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O5S3/c1-2-5-20-19(23(36-28-20)30-38(34,35)24(25,26)27)14-15-8-10-16(11-9-15)18-6-3-4-7-21(18)37(32,33)29-22(31)17-12-13-17/h3-4,6-11,17,30H,2,5,12-14H2,1H3,(H,29,31).
What are the key properties of N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide?
N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide has a molecular weight of 587.67 g/mol, XLogP of 4.83, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[3-propyl-5-(trifluoromethylsulfonylamino)-1,2-thiazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide is sourced from PubChem (CID 67868982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).