2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide

C21H23F3N4O4S — CID 91026608

IUPAC2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide
SMILESNCC(=O)Nc1ccc(S(=O)(=O)N2CC=C(NOCc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C21H23F3N4O4S/c22-21(23,24)16-3-1-2-15(12-16)14-32-27-18-8-10-28(11-9-18)33(30,31)19-6-4-17(5-7-19)26-20(29)13-25/h1-8,12,27H,9-11,13-14,25H2,(H,26,29)
InChIKeyRMLDCBQYNZYIBO-UHFFFAOYSA-N
MW484.50 g/mol
LogP2.60
Rot. Bonds8

About 2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide

2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide (PubChem CID 91026608) has the molecular formula C21H23F3N4O4S and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide
PubChem CID91026608
Molecular FormulaC21H23F3N4O4S
Molecular Weight484.50 g/mol
Exact Mass484.14
IUPAC Name2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide
SMILESNCC(=O)Nc1ccc(S(=O)(=O)N2CC=C(NOCc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C21H23F3N4O4S/c22-21(23,24)16-3-1-2-15(12-16)14-32-27-18-8-10-28(11-9-18)33(30,31)19-6-4-17(5-7-19)26-20(29)13-25/h1-8,12,27H,9-11,13-14,25H2,(H,26,29)
InChIKeyRMLDCBQYNZYIBO-UHFFFAOYSA-N
XLogP2.60
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]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-(N-acetylsulfamoyl)phenyl)-1-((2-fluorobenzyl)oxy)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 18560962
1-((2-fluorobenzyl)oxy)-2-oxo-N-(4-sulfamoylphenyl)-1,2-dihydropyridine-3-carboxamide
CID 18560961
[3-(Trifluoromethyl)phenyl]methyl 4-[4-(prop-2-enoylamino)phenyl]sulfonylpiperazine-1-carboxylate
CID 52939645
N'-[4-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]sulfonylphenyl]ethane-1,2-diamine
CID 57992740
1-[4-(2-hydroxyethylamino)benzenesulfonyl]piperidin-4-one O-(3-trifluoromethylbenzyl)oxime
CID 57992770
2-amino-N-[4-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 57992933
N-(4-(4-(3-Cyano-4-fluorobenzyloxyimino)piperidin-1-ylsulfonyl)phenyl)acetamide
CID 57993003
({4-[4-(3-Trifluoromethylbenzyloxyimino)piperidine-1-sulfonyl]phenylcarbamoyl}methyl)carbamic acid tert-butyl ester
CID 86636708
2-Amino-N-{4-[4-(3-trifluoromethylbenzyloxyimino)piperidine-1-sulfonyl]phenyl}acetamide hydrochloride
CID 86636710
N-(4-(4-(3-cyano-4-fluorobenzyloxyimino)piperidin-1-ylsulfonyl)phenyl)-2,2,2-trifluoroacetamide
CID 86636718
N'-[4-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]sulfonylphenyl]ethane-1,2-diamine;dihydrochloride
CID 87660544
N-[4-[[4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]-2,2,2-trifluoroacetamide
CID 90708917

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide (CID 91026608) is 2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide is NCC(=O)Nc1ccc(S(=O)(=O)N2CC=C(NOCc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide?
The InChIKey is RMLDCBQYNZYIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O4S/c22-21(23,24)16-3-1-2-15(12-16)14-32-27-18-8-10-28(11-9-18)33(30,31)19-6-4-17(5-7-19)26-20(29)13-25/h1-8,12,27H,9-11,13-14,25H2,(H,26,29).
What are the key properties of 2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide?
2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide has a molecular weight of 484.50 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 91026608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).