N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide

C21H25NO3S — CID 55395647

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccccc2SCC2CCCO2)c1
InChIInChI=1S/C21H25NO3S/c1-22(14-16-7-5-8-17(13-16)24-2)21(23)19-10-3-4-11-20(19)26-15-18-9-6-12-25-18/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3
InChIKeyRUBJFCKTZSRJSC-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.24
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide

N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide (PubChem CID 55395647) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide
PubChem CID55395647
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccccc2SCC2CCCO2)c1
InChIInChI=1S/C21H25NO3S/c1-22(14-16-7-5-8-17(13-16)24-2)21(23)19-10-3-4-11-20(19)26-15-18-9-6-12-25-18/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3
InChIKeyRUBJFCKTZSRJSC-UHFFFAOYSA-N
XLogP4.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide 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-[(3-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 24982501
N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9400725
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 134049973
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate
CID 8733413
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55724333
N-[(3-methoxyphenyl)methyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1157396
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95050157
N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide
CID 87894906

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide (CID 55395647) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide is COc1cccc(CN(C)C(=O)c2ccccc2SCC2CCCO2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The InChIKey is RUBJFCKTZSRJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-22(14-16-7-5-8-17(13-16)24-2)21(23)19-10-3-4-11-20(19)26-15-18-9-6-12-25-18/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide has a molecular weight of 371.50 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55395647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).