N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide

C23H25ClN4O4S — CID 163379189

IUPACN-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide
SMILES[H]N=S(=O)(c1ccc(C(=O)NC2CC3(C2)CC(c2nc4cc(Cl)ccc4o2)C3)o1)N1CCCC1
InChIInChI=1S/C23H25ClN4O4S/c24-15-3-4-18-17(9-15)27-22(32-18)14-10-23(11-14)12-16(13-23)26-21(29)19-5-6-20(31-19)33(25,30)28-7-1-2-8-28/h3-6,9,14,16,25H,1-2,7-8,10-13H2,(H,26,29)
InChIKeyVOASNBSQLLHXGB-UHFFFAOYSA-N
MW489.00 g/mol
LogP4.95
Rot. Bonds5

About N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide

N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide (PubChem CID 163379189) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide
PubChem CID163379189
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC NameN-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide
SMILES[H]N=S(=O)(c1ccc(C(=O)NC2CC3(C2)CC(c2nc4cc(Cl)ccc4o2)C3)o1)N1CCCC1
InChIInChI=1S/C23H25ClN4O4S/c24-15-3-4-18-17(9-15)27-22(32-18)14-10-23(11-14)12-16(13-23)26-21(29)19-5-6-20(31-19)33(25,30)28-7-1-2-8-28/h3-6,9,14,16,25H,1-2,7-8,10-13H2,(H,26,29)
InChIKeyVOASNBSQLLHXGB-UHFFFAOYSA-N
XLogP4.95
TPSA112.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide?
The IUPAC name of N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide (CID 163379189) is N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide.
What is the SMILES notation for N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide?
The canonical SMILES for N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide is [H]N=S(=O)(c1ccc(C(=O)NC2CC3(C2)CC(c2nc4cc(Cl)ccc4o2)C3)o1)N1CCCC1.
What is the InChIKey of N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide?
The InChIKey is VOASNBSQLLHXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c24-15-3-4-18-17(9-15)27-22(32-18)14-10-23(11-14)12-16(13-23)26-21(29)19-5-6-20(31-19)33(25,30)28-7-1-2-8-28/h3-6,9,14,16,25H,1-2,7-8,10-13H2,(H,26,29).
What are the key properties of N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide?
N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide has a molecular weight of 489.00 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide is sourced from PubChem (CID 163379189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).