N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide

C20H17F3N4O4S — CID 118249429

IUPACN-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N4O4S/c1-12(28)26-18-9-13(6-7-24-18)14-8-17(19(31-2)25-11-14)32(29,30)27-16-5-3-4-15(10-16)20(21,22)23/h3-11,27H,1-2H3,(H,24,26,28)
InChIKeyRWCBMEQYGCTCHX-UHFFFAOYSA-N
MW466.44 g/mol
LogP3.93
Rot. Bonds6

About N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249429) has the molecular formula C20H17F3N4O4S and a molecular weight of 466.44 g/mol. Its IUPAC name is N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249429
Molecular FormulaC20H17F3N4O4S
Molecular Weight466.44 g/mol
Exact Mass466.09
IUPAC NameN-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N4O4S/c1-12(28)26-18-9-13(6-7-24-18)14-8-17(19(31-2)25-11-14)32(29,30)27-16-5-3-4-15(10-16)20(21,22)23/h3-11,27H,1-2H3,(H,24,26,28)
InChIKeyRWCBMEQYGCTCHX-UHFFFAOYSA-N
XLogP3.93
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide 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

N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293464
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 169307902
N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10158076
4-methoxy-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7574415
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
CID 169308090
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8822400

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249429) is N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide is COc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is RWCBMEQYGCTCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4S/c1-12(28)26-18-9-13(6-7-24-18)14-8-17(19(31-2)25-11-14)32(29,30)27-16-5-3-4-15(10-16)20(21,22)23/h3-11,27H,1-2H3,(H,24,26,28).
What are the key properties of N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 466.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).