4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C24H25NO4S — CID 31446452

IUPAC4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H25NO4S/c1-27-21-13-18(14-22(28-2)23(21)29-3)15-25-24(26)19-11-9-17(10-12-19)16-30-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,25,26)
InChIKeyMQMNJGDENYQWLZ-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.93
Rot. Bonds9

About 4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 31446452) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID31446452
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H25NO4S/c1-27-21-13-18(14-22(28-2)23(21)29-3)15-25-24(26)19-11-9-17(10-12-19)16-30-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,25,26)
InChIKeyMQMNJGDENYQWLZ-UHFFFAOYSA-N
XLogP4.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55875017
4-(phenylsulfanylmethyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6182801
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
CID 36936630
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28580089
N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide
CID 173203978
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
3-(methylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483484
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 31446452) is 4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is MQMNJGDENYQWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-27-21-13-18(14-22(28-2)23(21)29-3)15-25-24(26)19-11-9-17(10-12-19)16-30-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,25,26).
What are the key properties of 4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 423.53 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 31446452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).