N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide

C23H28N4O3S3 — CID 5183057

About N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide

N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide (PubChem CID 5183057) has the molecular formula C23H28N4O3S3 and a molecular weight of 504.70 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
• PubChem CID: 5183057
• Molecular Formula: C23H28N4O3S3
• Molecular Weight: 504.70 g/mol
• Exact Mass: 504.13
• IUPAC Name: N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)N(C)C)cc1/N=c1\scc(-c2cccs2)n1CCCN1CCCC1=O
• InChI: InChI=1S/C23H28N4O3S3/c1-17-9-10-18(33(29,30)25(2)3)15-19(17)24-23-27(13-6-12-26-11-4-8-22(26)28)20(16-32-23)21-7-5-14-31-21/h5,7,9-10,14-16H,4,6,8,11-13H2,1-3H3/b24-23-
• InChIKey: HUDQOTAEILZDNK-VHXPQNKSSA-N
• XLogP: 4.08
• TPSA: 74.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.70
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide?

The IUPAC name of N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide (CID 5183057) is N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide.

What is the SMILES notation for N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide?

The canonical SMILES for N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C)cc1/N=c1\scc(-c2cccs2)n1CCCN1CCCC1=O.

What is the InChIKey of N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide?

The InChIKey is HUDQOTAEILZDNK-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H28N4O3S3/c1-17-9-10-18(33(29,30)25(2)3)15-19(17)24-23-27(13-6-12-26-11-4-8-22(26)28)20(16-32-23)21-7-5-14-31-21/h5,7,9-10,14-16H,4,6,8,11-13H2,1-3H3/b24-23-.

What are the key properties of N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide?

N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide has a molecular weight of 504.70 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,4-trimethyl-3-[[3-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-yl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 5183057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).