2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide

C21H29FN2O3S2 — CID 154660353

About 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide (PubChem CID 154660353) has the molecular formula C21H29FN2O3S2 and a molecular weight of 440.61 g/mol. Its IUPAC name is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide
• PubChem CID: 154660353
• Molecular Formula: C21H29FN2O3S2
• Molecular Weight: 440.61 g/mol
• Exact Mass: 440.16
• IUPAC Name: 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide
• SMILES: CC(C)c1ncc(CS(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)C)s1
• InChI: InChI=1S/C21H29FN2O3S2/c1-12(2)17-7-15(22)8-18(13(3)4)19(17)9-20(25)24-29(26,27)11-16-10-23-21(28-16)14(5)6/h7-8,10,12-14H,9,11H2,1-6H3,(H,24,25)
• InChIKey: SSMSVWQUHACTOJ-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 76.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.61
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide?

The IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide (CID 154660353) is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide.

What is the SMILES notation for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide?

The canonical SMILES for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide is CC(C)c1ncc(CS(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)C)s1.

What is the InChIKey of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide?

The InChIKey is SSMSVWQUHACTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3S2/c1-12(2)17-7-15(22)8-18(13(3)4)19(17)9-20(25)24-29(26,27)11-16-10-23-21(28-16)14(5)6/h7-8,10,12-14H,9,11H2,1-6H3,(H,24,25).

What are the key properties of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide?

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide has a molecular weight of 440.61 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 154660353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).