2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide

C119H155F4N19O20S5 — CID 157479929

About 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 157479929) has the molecular formula C119H155F4N19O20S5 and a molecular weight of 2407.99 g/mol. Its IUPAC name is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide
• PubChem CID: 157479929
• Molecular Formula: C119H155F4N19O20S5
• Molecular Weight: 2407.99 g/mol
• Exact Mass: 2406.02
• IUPAC Name: 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide
• SMILES: COC(C)(C)Cn1ccc(S(=O)(=O)NC(=O)Cc2c(-c3cccnc3)cc(F)cc2C(C)C)n1.COC(C)(C)Cn1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C)c3)cc(F)cc2C(C)C)n1.COC(C)(C)Cn1ccc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(C)cc2C(C)C)n1.COC(C)(C)Cn1ccc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)C)n1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccn(CC(C)(C)OC)n2)ccn1
• InChI: InChI=1S/C25H28FN5O4S.C25H31FN4O4S.C24H29FN4O4S.C23H35N3O4S.C22H32FN3O4S/c1-16(2)19-12-18(26)13-20(17-7-9-28-22(11-17)27-5)21(19)14-23(32)30-36(33,34)24-8-10-31(29-24)15-25(3,4)35-6;1-16(2)20-12-19(26)13-21(18-7-9-27-17(3)11-18)22(20)14-23(31)29-35(32,33)24-8-10-30(28-24)15-25(4,5)34-6;1-16(2)19-11-18(25)12-20(17-7-6-9-26-14-17)21(19)13-22(30)28-34(31,32)23-8-10-29(27-23)15-24(3,4)33-5;1-15(2)18-11-17(5)12-19(16(3)4)20(18)13-21(27)25-31(28,29)22-9-10-26(24-22)14-23(6,7)30-8;1-14(2)17-10-16(23)11-18(15(3)4)19(17)12-20(27)25-31(28,29)21-8-9-26(24-21)13-22(5,6)30-7/h7-13,16H,14-15H2,1-4,6H3,(H,30,32);7-13,16H,14-15H2,1-6H3,(H,29,31);6-12,14,16H,13,15H2,1-5H3,(H,28,30);9-12,15-16H,13-14H2,1-8H3,(H,25,27);8-11,14-15H,12-13H2,1-7H3,(H,25,27)
• InChIKey: BWAUGRHKNWVVQA-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 494.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 45
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2407.99
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide?

The IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide (CID 157479929) is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide?

The canonical SMILES for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide is COC(C)(C)Cn1ccc(S(=O)(=O)NC(=O)Cc2c(-c3cccnc3)cc(F)cc2C(C)C)n1.COC(C)(C)Cn1ccc(S(=O)(=O)NC(=O)Cc2c(-c3ccnc(C)c3)cc(F)cc2C(C)C)n1.COC(C)(C)Cn1ccc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(C)cc2C(C)C)n1.COC(C)(C)Cn1ccc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)C)n1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccn(CC(C)(C)OC)n2)ccn1.

What is the InChIKey of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide?

The InChIKey is BWAUGRHKNWVVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4S.C25H31FN4O4S.C24H29FN4O4S.C23H35N3O4S.C22H32FN3O4S/c1-16(2)19-12-18(26)13-20(17-7-9-28-22(11-17)27-5)21(19)14-23(32)30-36(33,34)24-8-10-31(29-24)15-25(3,4)35-6;1-16(2)20-12-19(26)13-21(18-7-9-27-17(3)11-18)22(20)14-23(31)29-35(32,33)24-8-10-30(28-24)15-25(4,5)34-6;1-16(2)19-11-18(25)12-20(17-7-6-9-26-14-17)21(19)13-22(30)28-34(31,32)23-8-10-29(27-23)15-24(3,4)33-5;1-15(2)18-11-17(5)12-19(16(3)4)20(18)13-21(27)25-31(28,29)22-9-10-26(24-22)14-23(6,7)30-8;1-14(2)17-10-16(23)11-18(15(3)4)19(17)12-20(27)25-31(28,29)21-8-9-26(24-21)13-22(5,6)30-7/h7-13,16H,14-15H2,1-4,6H3,(H,30,32);7-13,16H,14-15H2,1-6H3,(H,29,31);6-12,14,16H,13,15H2,1-5H3,(H,28,30);9-12,15-16H,13-14H2,1-8H3,(H,25,27);8-11,14-15H,12-13H2,1-7H3,(H,25,27).

What are the key properties of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide?

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 2407.99 g/mol, XLogP of 19.55, 45 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 157479929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).