N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide

C20H14Cl2N2O2S — CID 84560928

IUPACN-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide
SMILESO=C(CSc1cccc(C(=O)Nc2ncc(Cl)cc2Cl)c1)c1ccccc1
InChIInChI=1S/C20H14Cl2N2O2S/c21-15-10-17(22)19(23-11-15)24-20(26)14-7-4-8-16(9-14)27-12-18(25)13-5-2-1-3-6-13/h1-11H,12H2,(H,23,24,26)
InChIKeyCDOTVKGTPBJLJG-UHFFFAOYSA-N
MW417.32 g/mol
LogP5.62
Rot. Bonds6

About N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide

N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide (PubChem CID 84560928) has the molecular formula C20H14Cl2N2O2S and a molecular weight of 417.32 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide
PubChem CID84560928
Molecular FormulaC20H14Cl2N2O2S
Molecular Weight417.32 g/mol
Exact Mass416.02
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide
SMILESO=C(CSc1cccc(C(=O)Nc2ncc(Cl)cc2Cl)c1)c1ccccc1
InChIInChI=1S/C20H14Cl2N2O2S/c21-15-10-17(22)19(23-11-15)24-20(26)14-7-4-8-16(9-14)27-12-18(25)13-5-2-1-3-6-13/h1-11H,12H2,(H,23,24,26)
InChIKeyCDOTVKGTPBJLJG-UHFFFAOYSA-N
XLogP5.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.32
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide
CID 84552750
N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide
CID 84552506
N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
CID 84552661
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide
CID 84560916
2-[(3-phenacylsulfanylbenzoyl)amino]propanoic acid
CID 84557002
N-(3-bromo-5-chloro-2-pyridinyl)benzamide
CID 121012256
N-[4-(2-methylpropoxy)phenyl]-3-phenacylsulfanylbenzamide
CID 84552635
1-(3,5-dichloro-2-pyridinyl)-3-phenylurea
CID 27161092
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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide (CID 84560928) is N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide is O=C(CSc1cccc(C(=O)Nc2ncc(Cl)cc2Cl)c1)c1ccccc1.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide?
The InChIKey is CDOTVKGTPBJLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2S/c21-15-10-17(22)19(23-11-15)24-20(26)14-7-4-8-16(9-14)27-12-18(25)13-5-2-1-3-6-13/h1-11H,12H2,(H,23,24,26).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide?
N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide has a molecular weight of 417.32 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide is sourced from PubChem (CID 84560928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).