N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide

C21H24N4O5S2 — CID 53133514

About N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide

N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide (PubChem CID 53133514) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
• PubChem CID: 53133514
• Molecular Formula: C21H24N4O5S2
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.12
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
• SMILES: COc1cccc(CNS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)sc2C)c1
• InChI: InChI=1S/C21H24N4O5S2/c1-14-18(32(27,28)22-13-15-7-6-8-16(11-15)29-2)12-17(31-14)19-23-24-20(30-19)21(26)25-9-4-3-5-10-25/h6-8,11-12,22H,3-5,9-10,13H2,1-2H3
• InChIKey: VYEJIXXDRNFVDU-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide (CID 53133514) is N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide is COc1cccc(CNS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)sc2C)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?

The InChIKey is VYEJIXXDRNFVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-14-18(32(27,28)22-13-15-7-6-8-16(11-15)29-2)12-17(31-14)19-23-24-20(30-19)21(26)25-9-4-3-5-10-25/h6-8,11-12,22H,3-5,9-10,13H2,1-2H3.

What are the key properties of N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide?

N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide has a molecular weight of 476.58 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 53133514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).