N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide

C22H21NO2S — CID 1289534

IUPACN-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C22H21NO2S/c1-16-6-12-21(13-7-16)26-15-17-8-10-18(11-9-17)22(24)23-19-4-3-5-20(14-19)25-2/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyIPDHWSXIVNHNOZ-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.55
Rot. Bonds6

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

N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide (PubChem CID 1289534) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
PubChem CID1289534
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C22H21NO2S/c1-16-6-12-21(13-7-16)26-15-17-8-10-18(11-9-17)22(24)23-19-4-3-5-20(14-19)25-2/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyIPDHWSXIVNHNOZ-UHFFFAOYSA-N
XLogP5.55
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 ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
CID 35042620
4-[(4-methylphenyl)sulfanylmethyl]-N-(3-nitrophenyl)benzamide
CID 1255671
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide
CID 19644977
N-[(3-methoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 801924
N-(3-methoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256295
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1260786
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide (CID 1289534) is N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide is COc1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The InChIKey is IPDHWSXIVNHNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-16-6-12-21(13-7-16)26-15-17-8-10-18(11-9-17)22(24)23-19-4-3-5-20(14-19)25-2/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide has a molecular weight of 363.48 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 1289534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).