N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide

C24H25NO2S — CID 8991195

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H25NO2S/c1-18-4-14-23(15-5-18)28-17-20-6-10-21(11-7-20)24(26)25(2)16-19-8-12-22(27-3)13-9-19/h4-15H,16-17H2,1-3H3
InChIKeyULKDXTSWOHLVCV-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.57
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide

N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide (PubChem CID 8991195) has the molecular formula C24H25NO2S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
PubChem CID8991195
Molecular FormulaC24H25NO2S
Molecular Weight391.54 g/mol
Exact Mass391.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H25NO2S/c1-18-4-14-23(15-5-18)28-17-20-6-10-21(11-7-20)24(26)25(2)16-19-8-12-22(27-3)13-9-19/h4-15H,16-17H2,1-3H3
InChIKeyULKDXTSWOHLVCV-UHFFFAOYSA-N
XLogP5.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 7958609
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 50874829
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
1-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2-methylpropan-1-one
CID 82164974
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 99957185
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 35214292
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
CID 31151066
2-amino-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120666613
ethyl 4-[(4-methylphenyl)sulfanylmethyl]benzoate
CID 14927153

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide (CID 8991195) is N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide is COc1ccc(CN(C)C(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The InChIKey is ULKDXTSWOHLVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2S/c1-18-4-14-23(15-5-18)28-17-20-6-10-21(11-7-20)24(26)25(2)16-19-8-12-22(27-3)13-9-19/h4-15H,16-17H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide has a molecular weight of 391.54 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 8991195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).