N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

C23H27F3N2O2S — CID 11236328

IUPACN-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CC(OC(c2ccc(SC)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C23H27F3N2O2S/c1-4-15(2)27-22(29)28-13-17(14-28)30-21(16-9-11-18(31-3)12-10-16)19-7-5-6-8-20(19)23(24,25)26/h5-12,15,17,21H,4,13-14H2,1-3H3,(H,27,29)
InChIKeyPQQGOZKVEOKNQU-UHFFFAOYSA-N
MW452.54 g/mol
LogP5.73
Rot. Bonds7

About N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide

N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (PubChem CID 11236328) has the molecular formula C23H27F3N2O2S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
PubChem CID11236328
Molecular FormulaC23H27F3N2O2S
Molecular Weight452.54 g/mol
Exact Mass452.17
IUPAC NameN-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CC(OC(c2ccc(SC)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C23H27F3N2O2S/c1-4-15(2)27-22(29)28-13-17(14-28)30-21(16-9-11-18(31-3)12-10-16)19-7-5-6-8-20(19)23(24,25)26/h5-12,15,17,21H,4,13-14H2,1-3H3,(H,27,29)
InChIKeyPQQGOZKVEOKNQU-UHFFFAOYSA-N
XLogP5.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.54
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide 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-tert-butyl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11201815
N-tert-butyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11292673
N-(1-adamantyl)-3-[(4-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11167996
N-(3-ethyl-3-bicyclo[3.2.1]octanyl)-3-[(4-methylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 167069069
N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 171493849
N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-[(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 166785776
N-tert-butyl-3-[[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 11376074
1-benzhydryl-3-[(4-methylsulfonylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
CID 68902535
N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853933
1-benzhydryl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine
CID 68906138
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54908281
3-hydroxy-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]piperidine-1-carboxamide
CID 110904080

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (CID 11236328) is N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is CCC(C)NC(=O)N1CC(OC(c2ccc(SC)cc2)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The InChIKey is PQQGOZKVEOKNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O2S/c1-4-15(2)27-22(29)28-13-17(14-28)30-21(16-9-11-18(31-3)12-10-16)19-7-5-6-8-20(19)23(24,25)26/h5-12,15,17,21H,4,13-14H2,1-3H3,(H,27,29).
What are the key properties of N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 11236328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).