3-[(4-methoxyphenyl)sulfanylmethyl]benzamide

C15H15NO2S — CID 47172855

IUPAC3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
SMILESCOc1ccc(SCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C15H15NO2S/c1-18-13-5-7-14(8-6-13)19-10-11-3-2-4-12(9-11)15(16)17/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyBPBHIQZDZSIBFC-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.09
Rot. Bonds5

About 3-[(4-methoxyphenyl)sulfanylmethyl]benzamide

3-[(4-methoxyphenyl)sulfanylmethyl]benzamide (PubChem CID 47172855) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
PubChem CID47172855
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
SMILESCOc1ccc(SCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C15H15NO2S/c1-18-13-5-7-14(8-6-13)19-10-11-3-2-4-12(9-11)15(16)17/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyBPBHIQZDZSIBFC-UHFFFAOYSA-N
XLogP3.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminophenyl)sulfanylmethyl]benzamide
CID 79133655
3-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 55631604
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208
4-[(4-methoxyphenyl)sulfanylmethyl]-3-nitrobenzamide
CID 26971612
1-[4-[(3-methoxyphenyl)methylsulfanyl]phenyl]pentan-1-one
CID 94779718
1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 79515162
3-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 55631161
1-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2-methylpropan-1-one
CID 82164974
[(2R)-1-amino-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 7790658
3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzohydrazide
CID 63581336
methyl 3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
CID 7813079

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfanylmethyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfanylmethyl]benzamide (CID 47172855) is 3-[(4-methoxyphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfanylmethyl]benzamide is COc1ccc(SCc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfanylmethyl]benzamide?
The InChIKey is BPBHIQZDZSIBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-18-13-5-7-14(8-6-13)19-10-11-3-2-4-12(9-11)15(16)17/h2-9H,10H2,1H3,(H2,16,17).
What are the key properties of 3-[(4-methoxyphenyl)sulfanylmethyl]benzamide?
3-[(4-methoxyphenyl)sulfanylmethyl]benzamide has a molecular weight of 273.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 47172855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).