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

C16H21N5O4S3 — CID 24854718

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

N-ethyl-3-hydroxy-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide (PubChem CID 24854718) has the molecular formula C16H21N5O4S3 and a molecular weight of 443.58 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-ethyl-3-hydroxy-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide
• PubChem CID: 24854718
• Molecular Formula: C16H21N5O4S3
• Molecular Weight: 443.58 g/mol
• Exact Mass: 443.08
• IUPAC Name: N-ethyl-3-hydroxy-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide
• SMILES: CCNS(=O)(=O)c1scc(Nc2nsnc2N[C@H](CC)c2ccc(C)o2)c1O
• InChI: InChI=1S/C16H21N5O4S3/c1-4-10(12-7-6-9(3)25-12)18-14-15(21-27-20-14)19-11-8-26-16(13(11)22)28(23,24)17-5-2/h6-8,10,17,22H,4-5H2,1-3H3,(H,18,20)(H,19,21)/t10-/m1/s1
• InChIKey: SRCWUCOEPFVCFD-SNVBAGLBSA-N
• XLogP: 3.81
• TPSA: 129.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.58
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

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-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide?

The IUPAC name of N-ethyl-3-hydroxy-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide (CID 24854718) is N-ethyl-3-hydroxy-4-[[4-[[(1R)-1-(5-methylfuran-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-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide?

The canonical SMILES for N-ethyl-3-hydroxy-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide is CCNS(=O)(=O)c1scc(Nc2nsnc2N[C@H](CC)c2ccc(C)o2)c1O.

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

The InChIKey is SRCWUCOEPFVCFD-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21N5O4S3/c1-4-10(12-7-6-9(3)25-12)18-14-15(21-27-20-14)19-11-8-26-16(13(11)22)28(23,24)17-5-2/h6-8,10,17,22H,4-5H2,1-3H3,(H,18,20)(H,19,21)/t10-/m1/s1.

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

N-ethyl-3-hydroxy-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide has a molecular weight of 443.58 g/mol, XLogP of 3.81, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-hydroxy-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 24854718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).