2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide

C41H37F13N4O8S2 — CID 162136993

About 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide

2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide (PubChem CID 162136993) has the molecular formula C41H37F13N4O8S2 and a molecular weight of 1024.87 g/mol. Its IUPAC name is 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
• PubChem CID: 162136993
• Molecular Formula: C41H37F13N4O8S2
• Molecular Weight: 1024.87 g/mol
• Exact Mass: 1024.18
• IUPAC Name: 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
• SMILES: Cc1cc(NC(=O)Cc2ccc(S(=O)(=O)CC3CC3)nc2)ccc1C(O)(C(F)(F)F)C(F)(F)F.O=C(Cc1ccc(S(=O)(=O)CC2CC2)nc1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1
• InChI: InChI=1S/C21H20F6N2O4S.C20H17F7N2O4S/c1-12-8-15(5-6-16(12)19(31,20(22,23)24)21(25,26)27)29-17(30)9-14-4-7-18(28-10-14)34(32,33)11-13-2-3-13;21-15-8-13(4-5-14(15)18(31,19(22,23)24)20(25,26)27)29-16(30)7-12-3-6-17(28-9-12)34(32,33)10-11-1-2-11/h4-8,10,13,31H,2-3,9,11H2,1H3,(H,29,30);3-6,8-9,11,31H,1-2,7,10H2,(H,29,30)
• InChIKey: ZJKRKFKYSSRARG-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 192.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1024.87
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide?

The IUPAC name of 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide (CID 162136993) is 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide.

What is the SMILES notation for 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide?

The canonical SMILES for 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide is Cc1cc(NC(=O)Cc2ccc(S(=O)(=O)CC3CC3)nc2)ccc1C(O)(C(F)(F)F)C(F)(F)F.O=C(Cc1ccc(S(=O)(=O)CC2CC2)nc1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1.

What is the InChIKey of 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide?

The InChIKey is ZJKRKFKYSSRARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2O4S.C20H17F7N2O4S/c1-12-8-15(5-6-16(12)19(31,20(22,23)24)21(25,26)27)29-17(30)9-14-4-7-18(28-10-14)34(32,33)11-13-2-3-13;21-15-8-13(4-5-14(15)18(31,19(22,23)24)20(25,26)27)29-16(30)7-12-3-6-17(28-9-12)34(32,33)10-11-1-2-11/h4-8,10,13,31H,2-3,9,11H2,1H3,(H,29,30);3-6,8-9,11,31H,1-2,7,10H2,(H,29,30).

What are the key properties of 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide?

2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide has a molecular weight of 1024.87 g/mol, XLogP of 7.96, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide is sourced from PubChem (CID 162136993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).