2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C17H18F4N4O4S — CID 4765482

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18F4N4O4S/c18-16(19)13-9-14(17(20)21)25(23-13)10-15(26)22-11-1-3-12(4-2-11)30(27,28)24-5-7-29-8-6-24/h1-4,9,16-17H,5-8,10H2,(H,22,26)
InChIKeyXRQKZNZLMBGTRA-UHFFFAOYSA-N
MW450.41 g/mol
LogP2.42
Rot. Bonds7

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4765482) has the molecular formula C17H18F4N4O4S and a molecular weight of 450.41 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4765482
Molecular FormulaC17H18F4N4O4S
Molecular Weight450.41 g/mol
Exact Mass450.10
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18F4N4O4S/c18-16(19)13-9-14(17(20)21)25(23-13)10-15(26)22-11-1-3-12(4-2-11)30(27,28)24-5-7-29-8-6-24/h1-4,9,16-17H,5-8,10H2,(H,22,26)
InChIKeyXRQKZNZLMBGTRA-UHFFFAOYSA-N
XLogP2.42
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19519155
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19515729
N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521582
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19525215
N-(4-morpholin-4-ylsulfonylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)acetamide
CID 56539574
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19523383
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4278623
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 108806474
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 4765482) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is XRQKZNZLMBGTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N4O4S/c18-16(19)13-9-14(17(20)21)25(23-13)10-15(26)22-11-1-3-12(4-2-11)30(27,28)24-5-7-29-8-6-24/h1-4,9,16-17H,5-8,10H2,(H,22,26).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 450.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4765482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).