N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide

C24H24N2O3S — CID 60594384

IUPACN-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)C(C)Sc2cccc(C)c2)cc1
InChIInChI=1S/C24H24N2O3S/c1-16-7-6-8-20(15-16)30-17(2)23(27)25-19-13-11-18(12-14-19)24(28)26-21-9-4-5-10-22(21)29-3/h4-15,17H,1-3H3,(H,25,27)(H,26,28)
InChIKeyYJGZFZXBIUOQDH-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.38
Rot. Bonds7

About N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide

N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide (PubChem CID 60594384) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide
PubChem CID60594384
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)C(C)Sc2cccc(C)c2)cc1
InChIInChI=1S/C24H24N2O3S/c1-16-7-6-8-20(15-16)30-17(2)23(27)25-19-13-11-18(12-14-19)24(28)26-21-9-4-5-10-22(21)29-3/h4-15,17H,1-3H3,(H,25,27)(H,26,28)
InChIKeyYJGZFZXBIUOQDH-UHFFFAOYSA-N
XLogP5.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 40898210
4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 43001096
N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 18906732
N-[3-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
CID 18906978
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
3-methyl-N-[3-[1-(4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18906716
N-(2,5-dimethylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316847
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethylbenzamide
CID 9245041
N-[3-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907863

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide (CID 60594384) is N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)C(C)Sc2cccc(C)c2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide?
The InChIKey is YJGZFZXBIUOQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-16-7-6-8-20(15-16)30-17(2)23(27)25-19-13-11-18(12-14-19)24(28)26-21-9-4-5-10-22(21)29-3/h4-15,17H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide?
N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide has a molecular weight of 420.53 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide is sourced from PubChem (CID 60594384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).