N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide

C23H23NO3S — CID 134050485

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(CS(C)=O)c2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-27-21-13-11-19(12-14-21)22(18-8-4-3-5-9-18)24-23(25)20-10-6-7-17(15-20)16-28(2)26/h3-15,22H,16H2,1-2H3,(H,24,25)
InChIKeyBPGKDVMYIXDGDY-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.09
Rot. Bonds7

About N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide

N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide (PubChem CID 134050485) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide
PubChem CID134050485
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(CS(C)=O)c2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-27-21-13-11-19(12-14-21)22(18-8-4-3-5-9-18)24-23(25)20-10-6-7-17(15-20)16-28(2)26/h3-15,22H,16H2,1-2H3,(H,24,25)
InChIKeyBPGKDVMYIXDGDY-UHFFFAOYSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 46550377
N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide
CID 55824777
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 134024613
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfinylmethyl)benzamide
CID 86914769
3-bromo-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 17435888
3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 40789490
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide
CID 18334245

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide (CID 134050485) is N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide is COc1ccc(C(NC(=O)c2cccc(CS(C)=O)c2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide?
The InChIKey is BPGKDVMYIXDGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-27-21-13-11-19(12-14-21)22(18-8-4-3-5-9-18)24-23(25)20-10-6-7-17(15-20)16-28(2)26/h3-15,22H,16H2,1-2H3,(H,24,25).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide?
N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide has a molecular weight of 393.51 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-3-(methylsulfinylmethyl)benzamide is sourced from PubChem (CID 134050485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).