N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide

C19H24N4O6S3 — CID 58597583

About N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide

N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide (PubChem CID 58597583) has the molecular formula C19H24N4O6S3 and a molecular weight of 500.62 g/mol. Its IUPAC name is N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide
• PubChem CID: 58597583
• Molecular Formula: C19H24N4O6S3
• Molecular Weight: 500.62 g/mol
• Exact Mass: 500.09
• IUPAC Name: N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide
• SMILES: CC[C@@H](NC1=CS(=O)(=O)N=C1Nc1csc(S(=O)(=O)N(C)C2CC2)c1O)c1ccc(C)o1
• InChI: InChI=1S/C19H24N4O6S3/c1-4-13(16-8-5-11(2)29-16)20-15-10-31(25,26)22-18(15)21-14-9-30-19(17(14)24)32(27,28)23(3)12-6-7-12/h5,8-10,12-13,20,24H,4,6-7H2,1-3H3,(H,21,22)/t13-/m1/s1
• InChIKey: QADMDZDFJCLWQX-CYBMUJFWSA-N
• XLogP: 2.87
• TPSA: 141.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.62
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide?

The IUPAC name of N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide (CID 58597583) is N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide.

What is the SMILES notation for N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide?

The canonical SMILES for N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide is CC[C@@H](NC1=CS(=O)(=O)N=C1Nc1csc(S(=O)(=O)N(C)C2CC2)c1O)c1ccc(C)o1.

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

The InChIKey is QADMDZDFJCLWQX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N4O6S3/c1-4-13(16-8-5-11(2)29-16)20-15-10-31(25,26)22-18(15)21-14-9-30-19(17(14)24)32(27,28)23(3)12-6-7-12/h5,8-10,12-13,20,24H,4,6-7H2,1-3H3,(H,21,22)/t13-/m1/s1.

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

N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide has a molecular weight of 500.62 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-hydroxy-N-methyl-4-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 58597583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).