N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide

C27H23ClN2O4S — CID 78320018

IUPACN-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(Cl)cc3)c(Oc3ccccc3)n2)cc1
InChIInChI=1S/C27H23ClN2O4S/c1-2-35(32,33)23-14-8-19(9-15-23)18-26(31)29-25-17-16-24(20-10-12-21(28)13-11-20)27(30-25)34-22-6-4-3-5-7-22/h3-17H,2,18H2,1H3,(H,29,30,31)
InChIKeyUCSHAJQOAZHOOW-UHFFFAOYSA-N
MW507.01 g/mol
LogP6.17
Rot. Bonds8

About N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 78320018) has the molecular formula C27H23ClN2O4S and a molecular weight of 507.01 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID78320018
Molecular FormulaC27H23ClN2O4S
Molecular Weight507.01 g/mol
Exact Mass506.11
IUPAC NameN-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(Cl)cc3)c(Oc3ccccc3)n2)cc1
InChIInChI=1S/C27H23ClN2O4S/c1-2-35(32,33)23-14-8-19(9-15-23)18-26(31)29-25-17-16-24(20-10-12-21(28)13-11-20)27(30-25)34-22-6-4-3-5-7-22/h3-17H,2,18H2,1H3,(H,29,30,31)
InChIKeyUCSHAJQOAZHOOW-UHFFFAOYSA-N
XLogP6.17
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.01
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950
2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
CID 71289973
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72544310
N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285899
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587054
N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285888
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]acetamide
CID 72548784
N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285892
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145879
N-[3-chloro-3-(4-chlorophenoxy)-4-phenylcyclohexa-1,5-dien-1-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285870
N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-[4-(2-methoxyethylsulfonyl)phenyl]acetamide
CID 118143436

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 78320018) is N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(Cl)cc3)c(Oc3ccccc3)n2)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is UCSHAJQOAZHOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O4S/c1-2-35(32,33)23-14-8-19(9-15-23)18-26(31)29-25-17-16-24(20-10-12-21(28)13-11-20)27(30-25)34-22-6-4-3-5-7-22/h3-17H,2,18H2,1H3,(H,29,30,31).
What are the key properties of N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 507.01 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 78320018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).