methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate

C24H22ClN5O5S — CID 71523131

About methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate

methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 71523131) has the molecular formula C24H22ClN5O5S and a molecular weight of 527.99 g/mol. Its IUPAC name is methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
• PubChem CID: 71523131
• Molecular Formula: C24H22ClN5O5S
• Molecular Weight: 527.99 g/mol
• Exact Mass: 527.10
• IUPAC Name: methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
• SMILES: COC(=O)N1CCC2(C1)CN(C(=O)Nc1ncc(Oc3cccc(C(N)=O)c3)s1)c1ccc(Cl)cc12
• InChI: InChI=1S/C24H22ClN5O5S/c1-34-23(33)29-8-7-24(12-29)13-30(18-6-5-15(25)10-17(18)24)22(32)28-21-27-11-19(36-21)35-16-4-2-3-14(9-16)20(26)31/h2-6,9-11H,7-8,12-13H2,1H3,(H2,26,31)(H,27,28,32)
• InChIKey: RNQNOCORQMPMLO-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 127.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.99
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?

The IUPAC name of methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate (CID 71523131) is methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate.

What is the SMILES notation for methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?

The canonical SMILES for methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate is COC(=O)N1CCC2(C1)CN(C(=O)Nc1ncc(Oc3cccc(C(N)=O)c3)s1)c1ccc(Cl)cc12.

What is the InChIKey of methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?

The InChIKey is RNQNOCORQMPMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O5S/c1-34-23(33)29-8-7-24(12-29)13-30(18-6-5-15(25)10-17(18)24)22(32)28-21-27-11-19(36-21)35-16-4-2-3-14(9-16)20(26)31/h2-6,9-11H,7-8,12-13H2,1H3,(H2,26,31)(H,27,28,32).

What are the key properties of methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?

methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 527.99 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[[5-(3-carbamoylphenoxy)-1,3-thiazol-2-yl]carbamoyl]-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 71523131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).