N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide

C29H32N4O5S2 — CID 87350821

About N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide

N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide (PubChem CID 87350821) has the molecular formula C29H32N4O5S2 and a molecular weight of 580.73 g/mol. Its IUPAC name is N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide.

Molecular Properties

• Compound Name: N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide
• PubChem CID: 87350821
• Molecular Formula: C29H32N4O5S2
• Molecular Weight: 580.73 g/mol
• Exact Mass: 580.18
• IUPAC Name: N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide
• SMILES: CCNC(=O)S(=O)(=O)Nc1sc(CC(C)C)cc1-c1ccc(Cn2c(-c3ccccc3)nc(C=O)c2OC)cc1
• InChI: InChI=1S/C29H32N4O5S2/c1-5-30-29(35)40(36,37)32-27-24(16-23(39-27)15-19(2)3)21-13-11-20(12-14-21)17-33-26(22-9-7-6-8-10-22)31-25(18-34)28(33)38-4/h6-14,16,18-19,32H,5,15,17H2,1-4H3,(H,30,35)
• InChIKey: SEKAKNGAGCYNNL-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 119.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.73
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide?

The IUPAC name of N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide (CID 87350821) is N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide.

What is the SMILES notation for N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide?

The canonical SMILES for N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide is CCNC(=O)S(=O)(=O)Nc1sc(CC(C)C)cc1-c1ccc(Cn2c(-c3ccccc3)nc(C=O)c2OC)cc1.

What is the InChIKey of N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide?

The InChIKey is SEKAKNGAGCYNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5S2/c1-5-30-29(35)40(36,37)32-27-24(16-23(39-27)15-19(2)3)21-13-11-20(12-14-21)17-33-26(22-9-7-6-8-10-22)31-25(18-34)28(33)38-4/h6-14,16,18-19,32H,5,15,17H2,1-4H3,(H,30,35).

What are the key properties of N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide?

N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide has a molecular weight of 580.73 g/mol, XLogP of 5.82, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-[[3-[4-[(4-formyl-5-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfamoyl]formamide is sourced from PubChem (CID 87350821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).