N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide

C22H20ClNO3S — CID 71285820

IUPACN-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C22H20ClNO3S/c1-2-28(26,27)19-11-8-16(9-12-19)14-22(25)24-18-10-13-20(21(23)15-18)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,24,25)
InChIKeyYGCUVYQCXBRDTH-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.98
Rot. Bonds6

About N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide

N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 71285820) has the molecular formula C22H20ClNO3S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID71285820
Molecular FormulaC22H20ClNO3S
Molecular Weight413.93 g/mol
Exact Mass413.09
IUPAC NameN-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C22H20ClNO3S/c1-2-28(26,27)19-11-8-16(9-12-19)14-22(25)24-18-10-13-20(21(23)15-18)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,24,25)
InChIKeyYGCUVYQCXBRDTH-UHFFFAOYSA-N
XLogP4.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide (CID 71285820) is N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is YGCUVYQCXBRDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3S/c1-2-28(26,27)19-11-8-16(9-12-19)14-22(25)24-18-10-13-20(21(23)15-18)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,24,25).
What are the key properties of N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 413.93 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 71285820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).