2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide

C22H22F2N4O5S — CID 56592530

IUPAC2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C22H22F2N4O5S/c1-27-9-8-20(26-27)25-22(29)21(33-19-7-4-16(23)14-18(19)24)15-2-5-17(6-3-15)34(30,31)28-10-12-32-13-11-28/h2-9,14,21H,10-13H2,1H3,(H,25,26,29)
InChIKeyTWRBBIUTAXQJFH-UHFFFAOYSA-N
MW492.50 g/mol
LogP2.48
Rot. Bonds7

About 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 56592530) has the molecular formula C22H22F2N4O5S and a molecular weight of 492.50 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID56592530
Molecular FormulaC22H22F2N4O5S
Molecular Weight492.50 g/mol
Exact Mass492.13
IUPAC Name2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C22H22F2N4O5S/c1-27-9-8-20(26-27)25-22(29)21(33-19-7-4-16(23)14-18(19)24)15-2-5-17(6-3-15)34(30,31)28-10-12-32-13-11-28/h2-9,14,21H,10-13H2,1H3,(H,25,26,29)
InChIKeyTWRBBIUTAXQJFH-UHFFFAOYSA-N
XLogP2.48
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methylbut-2-enoxy)-N-(1-methylpyrazol-3-yl)-5-(4-morpholin-4-ylsulfonylphenoxy)benzamide
CID 70689790
3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]-5-(3-methylbut-2-enoxy)-N-(1-methylpyrazol-3-yl)benzamide
CID 70691949
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide
CID 24961240
2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 25262588
2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 25262746
2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 66616539
2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 66619068
2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 67486482
2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 68776344
4-[[3-[[2-(4-Cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]methyl]benzoic acid
CID 68776473
2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-[4-(oxolan-3-ylsulfonyl)phenyl]acetamide
CID 68778082
2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide
CID 68778282

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 56592530) is 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide is Cn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is TWRBBIUTAXQJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O5S/c1-27-9-8-20(26-27)25-22(29)21(33-19-7-4-16(23)14-18(19)24)15-2-5-17(6-3-15)34(30,31)28-10-12-32-13-11-28/h2-9,14,21H,10-13H2,1H3,(H,25,26,29).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 492.50 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 56592530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).