N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide

C27H29FN4O3S — CID 1067288

About N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide (PubChem CID 1067288) has the molecular formula C27H29FN4O3S and a molecular weight of 508.62 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide
• PubChem CID: 1067288
• Molecular Formula: C27H29FN4O3S
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.19
• IUPAC Name: N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide
• SMILES: CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)S(=O)(=O)c1cccc2ccccc12
• InChI: InChI=1S/C27H29FN4O3S/c1-5-31(36(34,35)23-12-8-10-19-9-6-7-11-22(19)23)18-26(33)29-25-17-24(27(2,3)4)30-32(25)21-15-13-20(28)14-16-21/h6-17H,5,18H2,1-4H3,(H,29,33)
• InChIKey: NTBJHSOZHNMVSG-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide?

The IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide (CID 1067288) is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide.

What is the SMILES notation for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide?

The canonical SMILES for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide is CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)S(=O)(=O)c1cccc2ccccc12.

What is the InChIKey of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide?

The InChIKey is NTBJHSOZHNMVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O3S/c1-5-31(36(34,35)23-12-8-10-19-9-6-7-11-22(19)23)18-26(33)29-25-17-24(27(2,3)4)30-32(25)21-15-13-20(28)14-16-21/h6-17H,5,18H2,1-4H3,(H,29,33).

What are the key properties of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide?

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide has a molecular weight of 508.62 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 1067288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).