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

C19H20N4O5S2 — CID 53127446

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

N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 53127446) has the molecular formula C19H20N4O5S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
• PubChem CID: 53127446
• Molecular Formula: C19H20N4O5S2
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.09
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
• SMILES: COc1cccc(CNS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)c1
• InChI: InChI=1S/C19H20N4O5S2/c1-27-15-6-4-5-13(9-15)11-20-30(25,26)16-10-14(12-29-16)17-21-22-18(28-17)19(24)23-7-2-3-8-23/h4-6,9-10,12,20H,2-3,7-8,11H2,1H3
• InChIKey: FHJLITHDSSIKMT-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (CID 53127446) is N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.

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

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is COc1cccc(CNS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)c1.

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

The InChIKey is FHJLITHDSSIKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S2/c1-27-15-6-4-5-13(9-15)11-20-30(25,26)16-10-14(12-29-16)17-21-22-18(28-17)19(24)23-7-2-3-8-23/h4-6,9-10,12,20H,2-3,7-8,11H2,1H3.

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

N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 448.53 g/mol, XLogP of 2.52, 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]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53127446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).