2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide

C22H17Cl2FN2O4S — CID 25262906

IUPAC2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(Oc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C22H17Cl2FN2O4S/c23-14-3-9-19(18(25)11-14)31-21(22(28)27-20-10-4-15(24)12-26-20)13-1-5-16(6-2-13)32(29,30)17-7-8-17/h1-6,9-12,17,21H,7-8H2,(H,26,27,28)
InChIKeyGANDNDFHBFXVRR-UHFFFAOYSA-N
MW495.36 g/mol
LogP5.22
Rot. Bonds7

About 2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide

2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide (PubChem CID 25262906) has the molecular formula C22H17Cl2FN2O4S and a molecular weight of 495.36 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide
PubChem CID25262906
Molecular FormulaC22H17Cl2FN2O4S
Molecular Weight495.36 g/mol
Exact Mass494.03
IUPAC Name2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(Oc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C22H17Cl2FN2O4S/c23-14-3-9-19(18(25)11-14)31-21(22(28)27-20-10-4-15(24)12-26-20)13-1-5-16(6-2-13)32(29,30)17-7-8-17/h1-6,9-12,17,21H,7-8H2,(H,26,27,28)
InChIKeyGANDNDFHBFXVRR-UHFFFAOYSA-N
XLogP5.22
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.36
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(4-Chlorophenoxy)-2-(4-cyclopropylsulfonylphenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 68182540
6-[[2-(4-Cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]pyridine-3-carboxylic acid
CID 68777540
N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 25262587
2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide
CID 25262589
Methyl 6-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]pyridine-3-carboxylate
CID 25262742
2-(4-chlorophenoxy)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)acetamide
CID 50898802
2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 67486482
2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-pyrazin-2-ylacetamide
CID 67486776
2-[[6-[[2-(4-Cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-3-pyridinyl]oxy]-2-methylpropanoic acid
CID 68182562
Ethyl 2-[3-chloro-6-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-2-pyridinyl]acetate
CID 68182597
2-[3-Chloro-6-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-2-pyridinyl]acetic acid
CID 68182649
3-[6-[[2-(4-Cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-3-pyridinyl]benzoic acid
CID 68182655

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide (CID 25262906) is 2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide is O=C(Nc1ccc(Cl)cn1)C(Oc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide?
The InChIKey is GANDNDFHBFXVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FN2O4S/c23-14-3-9-19(18(25)11-14)31-21(22(28)27-20-10-4-15(24)12-26-20)13-1-5-16(6-2-13)32(29,30)17-7-8-17/h1-6,9-12,17,21H,7-8H2,(H,26,27,28).
What are the key properties of 2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide?
2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide has a molecular weight of 495.36 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide is sourced from PubChem (CID 25262906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).