(2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone

C24H24F3N3O4S2 — CID 11295647

IUPAC(2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone
SMILESCc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)s1
InChIInChI=1S/C24H24F3N3O4S2/c1-16-4-2-3-5-20(16)22(31)21-15-29-23(35-21)28-14-17-10-12-30(13-11-17)36(32,33)19-8-6-18(7-9-19)34-24(25,26)27/h2-9,15,17H,10-14H2,1H3,(H,28,29)
InChIKeyMGVHFUWKELZWLK-UHFFFAOYSA-N
MW539.60 g/mol
LogP5.09
Rot. Bonds8

About (2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone

(2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone (PubChem CID 11295647) has the molecular formula C24H24F3N3O4S2 and a molecular weight of 539.60 g/mol. Its IUPAC name is (2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone
PubChem CID11295647
Molecular FormulaC24H24F3N3O4S2
Molecular Weight539.60 g/mol
Exact Mass539.12
IUPAC Name(2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone
SMILESCc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)s1
InChIInChI=1S/C24H24F3N3O4S2/c1-16-4-2-3-5-20(16)22(31)21-15-29-23(35-21)28-14-17-10-12-30(13-11-17)36(32,33)19-8-6-18(7-9-19)34-24(25,26)27/h2-9,15,17H,10-14H2,1H3,(H,28,29)
InChIKeyMGVHFUWKELZWLK-UHFFFAOYSA-N
XLogP5.09
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.60
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methoxy-5-methyl-N-{3-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-propyl}-benzenesulfonamide
CID 23442592
3-Methoxy-N-{3-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-propyl}-benzenesulfonamide
CID 23442542
2,5-Dimethoxy-N-{3-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-propyl}-benzenesulfonamide
CID 23442776
[2-[[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 11260385
[2-[[1-(3-Fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 11294428
N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 11443995
[2-[[1-(2-Methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 11444073
[2-[[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 11454287
[2-[[1-(2-Fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 11784751
4-methoxy-N-[3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 23442556
N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 23442630
N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 23442650

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone (CID 11295647) is (2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone is Cc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)s1.
What is the InChIKey of (2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone?
The InChIKey is MGVHFUWKELZWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4S2/c1-16-4-2-3-5-20(16)22(31)21-15-29-23(35-21)28-14-17-10-12-30(13-11-17)36(32,33)19-8-6-18(7-9-19)34-24(25,26)27/h2-9,15,17H,10-14H2,1H3,(H,28,29).
What are the key properties of (2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone?
(2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone has a molecular weight of 539.60 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 11295647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).