N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide

C22H21NO2S — CID 7925023

IUPACN-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H21NO2S/c1-16-4-3-5-21(14-16)25-20-12-10-19(11-13-20)23-22(24)18-8-6-17(7-9-18)15-26-2/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyVEWZMFBMXSSVRF-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.90
Rot. Bonds6

About N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide

N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 7925023) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID7925023
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H21NO2S/c1-16-4-3-5-21(14-16)25-20-12-10-19(11-13-20)23-22(24)18-8-6-17(7-9-18)15-26-2/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyVEWZMFBMXSSVRF-UHFFFAOYSA-N
XLogP5.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 55678662
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenoxy)benzamide
CID 16651015
3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 7603354
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide (CID 7925023) is N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is VEWZMFBMXSSVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-16-4-3-5-21(14-16)25-20-12-10-19(11-13-20)23-22(24)18-8-6-17(7-9-18)15-26-2/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide?
N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 363.48 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 7925023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).