4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide

C20H19F3N6O4S — CID 67099993

IUPAC4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide
SMILESCCS(=O)(=O)Nc1ncccc1CNc1nc(Oc2ccc(C(N)=O)cc2)ncc1C(F)(F)F
InChIInChI=1S/C20H19F3N6O4S/c1-2-34(31,32)29-17-13(4-3-9-25-17)10-26-18-15(20(21,22)23)11-27-19(28-18)33-14-7-5-12(6-8-14)16(24)30/h3-9,11H,2,10H2,1H3,(H2,24,30)(H,25,29)(H,26,27,28)
InChIKeyZBTVKFQAKVWXCP-UHFFFAOYSA-N
MW496.47 g/mol
LogP3.16
Rot. Bonds9

About 4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide

4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide (PubChem CID 67099993) has the molecular formula C20H19F3N6O4S and a molecular weight of 496.47 g/mol. Its IUPAC name is 4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide
PubChem CID67099993
Molecular FormulaC20H19F3N6O4S
Molecular Weight496.47 g/mol
Exact Mass496.11
IUPAC Name4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide
SMILESCCS(=O)(=O)Nc1ncccc1CNc1nc(Oc2ccc(C(N)=O)cc2)ncc1C(F)(F)F
InChIInChI=1S/C20H19F3N6O4S/c1-2-34(31,32)29-17-13(4-3-9-25-17)10-26-18-15(20(21,22)23)11-27-19(28-18)33-14-7-5-12(6-8-14)16(24)30/h3-9,11H,2,10H2,1H3,(H2,24,30)(H,25,29)(H,26,27,28)
InChIKeyZBTVKFQAKVWXCP-UHFFFAOYSA-N
XLogP3.16
TPSA149.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.47
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
CID 123946120
2-[[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 123719069
N-[3-[[[2-(4-acetylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]ethanesulfonamide
CID 91409822
N-[3-[[[2-[4-(piperidine-1-carbonyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]ethanesulfonamide
CID 90697814
N-[3-[[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]ethanesulfonamide
CID 123417886
N-[3-[[[2-[(2-methoxy-4-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]ethanesulfonamide
CID 90819017
N-[4-[[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpiperidin-4-yl]benzamide
CID 140564556
4-[[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 67100254
4-[[4-[[3-(ethylsulfonylamino)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 67099519
N-[3-[[[2-[3-(methanesulfonamidomethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]ethanesulfonamide
CID 91513028
4-[[4-[[4-(ethylsulfonylamino)-2-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 67099544
4-[[4-[[2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 164838198

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide?
The IUPAC name of 4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide (CID 67099993) is 4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide.
What is the SMILES notation for 4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide?
The canonical SMILES for 4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide is CCS(=O)(=O)Nc1ncccc1CNc1nc(Oc2ccc(C(N)=O)cc2)ncc1C(F)(F)F.
What is the InChIKey of 4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide?
The InChIKey is ZBTVKFQAKVWXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O4S/c1-2-34(31,32)29-17-13(4-3-9-25-17)10-26-18-15(20(21,22)23)11-27-19(28-18)33-14-7-5-12(6-8-14)16(24)30/h3-9,11H,2,10H2,1H3,(H2,24,30)(H,25,29)(H,26,27,28).
What are the key properties of 4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide?
4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide has a molecular weight of 496.47 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(ethylsulfonylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]oxybenzamide is sourced from PubChem (CID 67099993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).