N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

C24H33BrN4O3S — CID 135381357

IUPACN'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Br)c(Oc2cccc(S(C)(=O)=NCCC3CCOCC3)c2)nc1C
InChIInChI=1S/C24H33BrN4O3S/c1-5-29(3)17-26-23-16-22(25)24(28-18(23)2)32-20-7-6-8-21(15-20)33(4,30)27-12-9-19-10-13-31-14-11-19/h6-8,15-17,19H,5,9-14H2,1-4H3/b26-17+
InChIKeySFCUQGJFLIOLSG-YZSQISJMSA-N
MW537.52 g/mol
LogP5.83
Rot. Bonds9

About N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 135381357) has the molecular formula C24H33BrN4O3S and a molecular weight of 537.52 g/mol. Its IUPAC name is N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
PubChem CID135381357
Molecular FormulaC24H33BrN4O3S
Molecular Weight537.52 g/mol
Exact Mass536.15
IUPAC NameN'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Br)c(Oc2cccc(S(C)(=O)=NCCC3CCOCC3)c2)nc1C
InChIInChI=1S/C24H33BrN4O3S/c1-5-29(3)17-26-23-16-22(25)24(28-18(23)2)32-20-7-6-8-21(15-20)33(4,30)27-12-9-19-10-13-31-14-11-19/h6-8,15-17,19H,5,9-14H2,1-4H3/b26-17+
InChIKeySFCUQGJFLIOLSG-YZSQISJMSA-N
XLogP5.83
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.52
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (CID 135381357) is N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(Br)c(Oc2cccc(S(C)(=O)=NCCC3CCOCC3)c2)nc1C.
What is the InChIKey of N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is SFCUQGJFLIOLSG-YZSQISJMSA-N. The full InChI is InChI=1S/C24H33BrN4O3S/c1-5-29(3)17-26-23-16-22(25)24(28-18(23)2)32-20-7-6-8-21(15-20)33(4,30)27-12-9-19-10-13-31-14-11-19/h6-8,15-17,19H,5,9-14H2,1-4H3/b26-17+.
What are the key properties of N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 537.52 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-bromo-2-methyl-6-[3-[S-methyl-N-[2-(oxan-4-yl)ethyl]sulfonimidoyl]phenoxy]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 135381357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).