N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide

C20H23NO3S — CID 9400725

IUPACN-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2SC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H23NO3S/c1-23-16-10-8-15(9-11-16)13-21-20(22)18-6-2-3-7-19(18)25-14-17-5-4-12-24-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyIKTMHWRUTGSARN-QGZVFWFLSA-N
MW357.48 g/mol
LogP3.90
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide

N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide (PubChem CID 9400725) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
PubChem CID9400725
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2SC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H23NO3S/c1-23-16-10-8-15(9-11-16)13-21-20(22)18-6-2-3-7-19(18)25-14-17-5-4-12-24-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyIKTMHWRUTGSARN-QGZVFWFLSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate
CID 8733413
N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 24584032
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56555213
N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55724333
N-[2-(2-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 46562523
2-(oxolan-2-ylmethylsulfanyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585692
(4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone
CID 33183550
[2-(4-methoxyanilino)-2-oxoethyl] 2-(oxolan-2-ylmethylsulfanyl)benzoate
CID 55403738
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365131
2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide
CID 43016040
N-[[4-benzyl-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
CID 26346800

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide (CID 9400725) is N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide is COc1ccc(CNC(=O)c2ccccc2SC[C@H]2CCCO2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The InChIKey is IKTMHWRUTGSARN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-23-16-10-8-15(9-11-16)13-21-20(22)18-6-2-3-7-19(18)25-14-17-5-4-12-24-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide is sourced from PubChem (CID 9400725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).