N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide

C18H25N5O5S3 — CID 59675080

About N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide

N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide (PubChem CID 59675080) has the molecular formula C18H25N5O5S3 and a molecular weight of 487.63 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide
• PubChem CID: 59675080
• Molecular Formula: C18H25N5O5S3
• Molecular Weight: 487.63 g/mol
• Exact Mass: 487.10
• IUPAC Name: N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide
• SMILES: CCNS(=O)(=O)c1scc(NC2=NS(=O)N=C2N[C@H](CC)c2cc(C(C)C)co2)c1O
• InChI: InChI=1S/C18H25N5O5S3/c1-5-12(14-7-11(8-28-14)10(3)4)20-16-17(23-30(25)22-16)21-13-9-29-18(15(13)24)31(26,27)19-6-2/h7-10,12,19,24H,5-6H2,1-4H3,(H,20,22)(H,21,23)/t12-,30?/m1/s1
• InChIKey: DULNFQGJQWDOMK-KTDAUSLXSA-N
• XLogP: 3.01
• TPSA: 145.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.63
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide?

The IUPAC name of N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide (CID 59675080) is N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide.

What is the SMILES notation for N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide?

The canonical SMILES for N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide is CCNS(=O)(=O)c1scc(NC2=NS(=O)N=C2N[C@H](CC)c2cc(C(C)C)co2)c1O.

What is the InChIKey of N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide?

The InChIKey is DULNFQGJQWDOMK-KTDAUSLXSA-N. The full InChI is InChI=1S/C18H25N5O5S3/c1-5-12(14-7-11(8-28-14)10(3)4)20-16-17(23-30(25)22-16)21-13-9-29-18(15(13)24)31(26,27)19-6-2/h7-10,12,19,24H,5-6H2,1-4H3,(H,20,22)(H,21,23)/t12-,30?/m1/s1.

What are the key properties of N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide?

N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide has a molecular weight of 487.63 g/mol, XLogP of 3.01, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-hydroxy-4-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 59675080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).