N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide

C30H32FN5O4S — CID 24985084

About N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 24985084) has the molecular formula C30H32FN5O4S and a molecular weight of 577.68 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 24985084
• Molecular Formula: C30H32FN5O4S
• Molecular Weight: 577.68 g/mol
• Exact Mass: 577.22
• IUPAC Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: C[C@@H](NC(=O)c1cc(-c2nnc([C@H]3NCCC[C@H]3c3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1
• InChI: InChI=1S/C30H32FN5O4S/c1-19(20-11-13-24(31)14-12-20)33-28(37)22-16-23(18-25(17-22)36(2)41(3,38)39)29-34-35-30(40-29)27-26(10-7-15-32-27)21-8-5-4-6-9-21/h4-6,8-9,11-14,16-19,26-27,32H,7,10,15H2,1-3H3,(H,33,37)/t19-,26+,27+/m1/s1
• InChIKey: CQAISUCKZXUEJR-VHEIIQRDSA-N
• XLogP: 4.97
• TPSA: 117.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.68
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide (CID 24985084) is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide is C[C@@H](NC(=O)c1cc(-c2nnc([C@H]3NCCC[C@H]3c3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1.

What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is CQAISUCKZXUEJR-VHEIIQRDSA-N. The full InChI is InChI=1S/C30H32FN5O4S/c1-19(20-11-13-24(31)14-12-20)33-28(37)22-16-23(18-25(17-22)36(2)41(3,38)39)29-34-35-30(40-29)27-26(10-7-15-32-27)21-8-5-4-6-9-21/h4-6,8-9,11-14,16-19,26-27,32H,7,10,15H2,1-3H3,(H,33,37)/t19-,26+,27+/m1/s1.

What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide?

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 577.68 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 24985084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).