N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide

C23H21NO2S — CID 84552506

IUPACN-(2-ethylphenyl)-3-phenacylsulfanylbenzamide
SMILESCCc1ccccc1NC(=O)c1cccc(SCC(=O)c2ccccc2)c1
InChIInChI=1S/C23H21NO2S/c1-2-17-9-6-7-14-21(17)24-23(26)19-12-8-13-20(15-19)27-16-22(25)18-10-4-3-5-11-18/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyHAODRTSKQPSQCP-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.48
Rot. Bonds7

About N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide

N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide (PubChem CID 84552506) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-phenacylsulfanylbenzamide
PubChem CID84552506
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC NameN-(2-ethylphenyl)-3-phenacylsulfanylbenzamide
SMILESCCc1ccccc1NC(=O)c1cccc(SCC(=O)c2ccccc2)c1
InChIInChI=1S/C23H21NO2S/c1-2-17-9-6-7-14-21(17)24-23(26)19-12-8-13-20(15-19)27-16-22(25)18-10-4-3-5-11-18/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyHAODRTSKQPSQCP-UHFFFAOYSA-N
XLogP5.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide
CID 84560916
N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
CID 84552661
2-[(3-phenacylsulfanylbenzoyl)amino]propanoic acid
CID 84557002
N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide
CID 84552750
3-methyl-2-[(3-phenacylsulfanylbenzoyl)amino]butanoic acid
CID 84557031
N-(3-phenacylsulfanylphenyl)acetamide
CID 19299397
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
N-(4-methylpiperazin-1-yl)-3-phenacylsulfanylbenzamide
CID 84557109
N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide
CID 84560928
3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051337
N-(2-ethylphenyl)-3-formamidobenzamide
CID 168654559
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 109057295

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide?
The IUPAC name of N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide (CID 84552506) is N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide?
The canonical SMILES for N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide is CCc1ccccc1NC(=O)c1cccc(SCC(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide?
The InChIKey is HAODRTSKQPSQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-2-17-9-6-7-14-21(17)24-23(26)19-12-8-13-20(15-19)27-16-22(25)18-10-4-3-5-11-18/h3-15H,2,16H2,1H3,(H,24,26).
What are the key properties of N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide?
N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide has a molecular weight of 375.49 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide is sourced from PubChem (CID 84552506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).