N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide

C24H28N4O5S — CID 16614522

IUPACN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H28N4O5S/c1-18(2)33-23-9-8-21(34(30,31)27-10-12-32-13-11-27)15-22(23)26-24(29)14-19-16-25-28(17-19)20-6-4-3-5-7-20/h3-9,15-18H,10-14H2,1-2H3,(H,26,29)
InChIKeyXYKRPJLVMYXEPU-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.86
Rot. Bonds8

About N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide

N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16614522) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16614522
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H28N4O5S/c1-18(2)33-23-9-8-21(34(30,31)27-10-12-32-13-11-27)15-22(23)26-24(29)14-19-16-25-28(17-19)20-6-4-3-5-7-20/h3-9,15-18H,10-14H2,1-2H3,(H,26,29)
InChIKeyXYKRPJLVMYXEPU-UHFFFAOYSA-N
XLogP2.86
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide (CID 16614522) is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide is CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is XYKRPJLVMYXEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-18(2)33-23-9-8-21(34(30,31)27-10-12-32-13-11-27)15-22(23)26-24(29)14-19-16-25-28(17-19)20-6-4-3-5-7-20/h3-9,15-18H,10-14H2,1-2H3,(H,26,29).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide?
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 484.58 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16614522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).