N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide

C24H25NO4S — CID 16597574

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide
SMILESCOc1cc(CNC(=O)c2cccc(CS(C)=O)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H25NO4S/c1-28-23-14-19(11-12-22(23)29-16-18-7-4-3-5-8-18)15-25-24(26)21-10-6-9-20(13-21)17-30(2)27/h3-14H,15-17H2,1-2H3,(H,25,26)
InChIKeyVNQUTBUMQLYKHF-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.08
Rot. Bonds9

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide (PubChem CID 16597574) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide
PubChem CID16597574
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide
SMILESCOc1cc(CNC(=O)c2cccc(CS(C)=O)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H25NO4S/c1-28-23-14-19(11-12-22(23)29-16-18-7-4-3-5-8-18)15-25-24(26)21-10-6-9-20(13-21)17-30(2)27/h3-14H,15-17H2,1-2H3,(H,25,26)
InChIKeyVNQUTBUMQLYKHF-UHFFFAOYSA-N
XLogP4.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 9470765
3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55883350
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide (CID 16597574) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide is COc1cc(CNC(=O)c2cccc(CS(C)=O)c2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide?
The InChIKey is VNQUTBUMQLYKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-28-23-14-19(11-12-22(23)29-16-18-7-4-3-5-8-18)15-25-24(26)21-10-6-9-20(13-21)17-30(2)27/h3-14H,15-17H2,1-2H3,(H,25,26).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide has a molecular weight of 423.53 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide is sourced from PubChem (CID 16597574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).