N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide

C23H23NO2S — CID 1260786

IUPACN-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO2S/c1-3-26-22-7-5-4-6-21(22)24-23(25)19-12-10-18(11-13-19)16-27-20-14-8-17(2)9-15-20/h4-15H,3,16H2,1-2H3,(H,24,25)
InChIKeyJIJQRHJFHLNPSC-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.94
Rot. Bonds7

About N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide

N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide (PubChem CID 1260786) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
PubChem CID1260786
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO2S/c1-3-26-22-7-5-4-6-21(22)24-23(25)19-12-10-18(11-13-19)16-27-20-14-8-17(2)9-15-20/h4-15H,3,16H2,1-2H3,(H,24,25)
InChIKeyJIJQRHJFHLNPSC-UHFFFAOYSA-N
XLogP5.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 6456700
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995
N-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 3950868
N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 94291772
4-(2-amino-2-sulfanylideneethyl)-N-(2-ethoxyphenyl)benzamide
CID 94806353
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1289534
N-(2-ethoxyphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900321
ethyl 4-[(4-methylphenyl)sulfanylmethyl]benzoate
CID 14927153

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide (CID 1260786) is N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide is CCOc1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The InChIKey is JIJQRHJFHLNPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-3-26-22-7-5-4-6-21(22)24-23(25)19-12-10-18(11-13-19)16-27-20-14-8-17(2)9-15-20/h4-15H,3,16H2,1-2H3,(H,24,25).
What are the key properties of N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide has a molecular weight of 377.51 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 1260786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).