N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide

C23H22N2O3S — CID 9415706

IUPACN-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3S/c1-28-20-13-11-19(12-14-20)25-23(27)17-7-9-18(10-8-17)24-22(26)15-16-29-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyJTWCVXHSXUOIRH-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.07
Rot. Bonds8

About N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide

N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide (PubChem CID 9415706) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
PubChem CID9415706
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3S/c1-28-20-13-11-19(12-14-20)25-23(27)17-7-9-18(10-8-17)24-22(26)15-16-29-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyJTWCVXHSXUOIRH-UHFFFAOYSA-N
XLogP5.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
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CID 8884300
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302
N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9438819
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 46533396
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide (CID 9415706) is N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide?
The InChIKey is JTWCVXHSXUOIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-28-20-13-11-19(12-14-20)25-23(27)17-7-9-18(10-8-17)24-22(26)15-16-29-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide?
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide has a molecular weight of 406.51 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide is sourced from PubChem (CID 9415706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).