(3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide

C24H30N4O4S2 — CID 93075643

About (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide

(3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 93075643) has the molecular formula C24H30N4O4S2 and a molecular weight of 502.66 g/mol. Its IUPAC name is (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
• PubChem CID: 93075643
• Molecular Formula: C24H30N4O4S2
• Molecular Weight: 502.66 g/mol
• Exact Mass: 502.17
• IUPAC Name: (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C(C)C)n4)sc3C)C2)c(C)c1
• InChI: InChI=1S/C24H30N4O4S2/c1-14(2)24-26-22(27-32-24)20-12-21(17(5)33-20)34(30,31)28-10-6-7-18(13-28)23(29)25-19-9-8-15(3)11-16(19)4/h8-9,11-12,14,18H,6-7,10,13H2,1-5H3,(H,25,29)/t18-/m0/s1
• InChIKey: JWHNXPBGZBJRCM-SFHVURJKSA-N
• XLogP: 4.89
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.66
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?

The IUPAC name of (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide (CID 93075643) is (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?

The canonical SMILES for (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C(C)C)n4)sc3C)C2)c(C)c1.

What is the InChIKey of (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?

The InChIKey is JWHNXPBGZBJRCM-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N4O4S2/c1-14(2)24-26-22(27-32-24)20-12-21(17(5)33-20)34(30,31)28-10-6-7-18(13-28)23(29)25-19-9-8-15(3)11-16(19)4/h8-9,11-12,14,18H,6-7,10,13H2,1-5H3,(H,25,29)/t18-/m0/s1.

What are the key properties of (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?

(3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 502.66 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 93075643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).