4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide

C22H19NO3S — CID 19629302

IUPAC4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(SCC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO3S/c1-26-19-11-7-17(8-12-19)22(25)23-18-9-13-20(14-10-18)27-15-21(24)16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,23,25)
InChIKeyGPFULVRPNYBPIY-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.92
Rot. Bonds7

About 4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide

4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide (PubChem CID 19629302) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
PubChem CID19629302
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(SCC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO3S/c1-26-19-11-7-17(8-12-19)22(25)23-18-9-13-20(14-10-18)27-15-21(24)16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,23,25)
InChIKeyGPFULVRPNYBPIY-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492
4-[[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 22784713
N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide
CID 40672353
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-[(Z)-3-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22783612
3,4-dimethoxy-N-[4-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]benzamide
CID 23098281
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706
N-[(Z)-1-(2-ethoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22783447
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299599
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 23095935

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide?
The IUPAC name of 4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide (CID 19629302) is 4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(SCC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide?
The InChIKey is GPFULVRPNYBPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-26-19-11-7-17(8-12-19)22(25)23-18-9-13-20(14-10-18)27-15-21(24)16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide?
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide has a molecular weight of 377.47 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide is sourced from PubChem (CID 19629302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).