N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide

C20H16ClNO2S — CID 2212014

IUPACN-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C20H16ClNO2S/c21-15-11-12-19(24-16-7-3-1-4-8-16)18(13-15)22-20(23)14-25-17-9-5-2-6-10-17/h1-13H,14H2,(H,22,23)
InChIKeyHBBRIHIIXPWUFG-UHFFFAOYSA-N
MW369.87 g/mol
LogP5.86
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide

N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide (PubChem CID 2212014) has the molecular formula C20H16ClNO2S and a molecular weight of 369.87 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide
PubChem CID2212014
Molecular FormulaC20H16ClNO2S
Molecular Weight369.87 g/mol
Exact Mass369.06
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C20H16ClNO2S/c21-15-11-12-19(24-16-7-3-1-4-8-16)18(13-15)22-20(23)14-25-17-9-5-2-6-10-17/h1-13H,14H2,(H,22,23)
InChIKeyHBBRIHIIXPWUFG-UHFFFAOYSA-N
XLogP5.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide (CID 2212014) is N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide?
The InChIKey is HBBRIHIIXPWUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2S/c21-15-11-12-19(24-16-7-3-1-4-8-16)18(13-15)22-20(23)14-25-17-9-5-2-6-10-17/h1-13H,14H2,(H,22,23).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide?
N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide has a molecular weight of 369.87 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2212014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).