N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide

C19H22F3N3O3S2 — CID 66610757

IUPACN-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2cnc(CCNS(=O)(=O)C(F)(F)F)s2)cc1)C1CCCCC1
InChIInChI=1S/C19H22F3N3O3S2/c20-19(21,22)30(27,28)24-11-10-17-23-12-16(29-17)13-6-8-15(9-7-13)25-18(26)14-4-2-1-3-5-14/h6-9,12,14,24H,1-5,10-11H2,(H,25,26)
InChIKeyLBENVEBWHFSJKU-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.31
Rot. Bonds7

About N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide

N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide (PubChem CID 66610757) has the molecular formula C19H22F3N3O3S2 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide
PubChem CID66610757
Molecular FormulaC19H22F3N3O3S2
Molecular Weight461.53 g/mol
Exact Mass461.11
IUPAC NameN-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2cnc(CCNS(=O)(=O)C(F)(F)F)s2)cc1)C1CCCCC1
InChIInChI=1S/C19H22F3N3O3S2/c20-19(21,22)30(27,28)24-11-10-17-23-12-16(29-17)13-6-8-15(9-7-13)25-18(26)14-4-2-1-3-5-14/h6-9,12,14,24H,1-5,10-11H2,(H,25,26)
InChIKeyLBENVEBWHFSJKU-UHFFFAOYSA-N
XLogP4.31
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide (CID 66610757) is N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(-c2cnc(CCNS(=O)(=O)C(F)(F)F)s2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is LBENVEBWHFSJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S2/c20-19(21,22)30(27,28)24-11-10-17-23-12-16(29-17)13-6-8-15(9-7-13)25-18(26)14-4-2-1-3-5-14/h6-9,12,14,24H,1-5,10-11H2,(H,25,26).
What are the key properties of N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide?
N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 461.53 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-5-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 66610757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).