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

C23H24F2N4O4S — CID 68778282

IUPAC2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide
SMILESCn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)C3CCNCC3)cc2)n1
InChIInChI=1S/C23H24F2N4O4S/c1-29-13-10-21(28-29)27-23(30)22(33-20-7-4-16(24)14-19(20)25)15-2-5-17(6-3-15)34(31,32)18-8-11-26-12-9-18/h2-7,10,13-14,18,22,26H,8-9,11-12H2,1H3,(H,27,28,30)
InChIKeyBGYALTQSWPWLGW-UHFFFAOYSA-N
MW490.53 g/mol
LogP2.98
Rot. Bonds7

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

2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide (PubChem CID 68778282) has the molecular formula C23H24F2N4O4S and a molecular weight of 490.53 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide
PubChem CID68778282
Molecular FormulaC23H24F2N4O4S
Molecular Weight490.53 g/mol
Exact Mass490.15
IUPAC Name2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide
SMILESCn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)C3CCNCC3)cc2)n1
InChIInChI=1S/C23H24F2N4O4S/c1-29-13-10-21(28-29)27-23(30)22(33-20-7-4-16(24)14-19(20)25)15-2-5-17(6-3-15)34(31,32)18-8-11-26-12-9-18/h2-7,10,13-14,18,22,26H,8-9,11-12H2,1H3,(H,27,28,30)
InChIKeyBGYALTQSWPWLGW-UHFFFAOYSA-N
XLogP2.98
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 68776344
2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide
CID 87572242
2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 25262588
[5-chloro-2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate
CID 25261033
N-(5-chloro-4-propyl-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 143788266
4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]oxy]benzoic acid
CID 87083606
4-[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]benzoic acid
CID 87571173
2-[2-[[2-(4-cyclohexylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87571465
2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 67435318
methyl 4-[[2-[[2-(2,4-difluorophenoxy)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetyl]amino]-1,3-thiazol-5-yl]oxy]benzoate
CID 56592787
2,3-bis(4-chloro-2-fluorophenoxy)-2,3-bis(4-cyclopropylsulfonylphenyl)-N-(1-methylpyrazol-3-yl)-N'-pyrazin-2-ylbutanediamide
CID 91425333
methyl 2-(2,4-difluorophenoxy)-2-(4-pyrrolidin-1-ylsulfonylphenyl)acetate
CID 59610051

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide (CID 68778282) is 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide is Cn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)C3CCNCC3)cc2)n1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide?
The InChIKey is BGYALTQSWPWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O4S/c1-29-13-10-21(28-29)27-23(30)22(33-20-7-4-16(24)14-19(20)25)15-2-5-17(6-3-15)34(31,32)18-8-11-26-12-9-18/h2-7,10,13-14,18,22,26H,8-9,11-12H2,1H3,(H,27,28,30).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide?
2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide has a molecular weight of 490.53 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 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-piperidin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 68778282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).