N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide

C22H24N4O6S — CID 19045454

IUPACN-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCOc3ccc4nonc4c3)CC1)O2
InChIInChI=1S/C22H24N4O6S/c1-33(28,29)25-15-2-5-21-17(12-15)20(27)14-22(31-21)6-8-26(9-7-22)10-11-30-16-3-4-18-19(13-16)24-32-23-18/h2-5,12-13,25H,6-11,14H2,1H3
InChIKeyGSRZXKYWGRCMCL-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.47
Rot. Bonds6

About N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide

N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide (PubChem CID 19045454) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
PubChem CID19045454
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCOc3ccc4nonc4c3)CC1)O2
InChIInChI=1S/C22H24N4O6S/c1-33(28,29)25-15-2-5-21-17(12-15)20(27)14-22(31-21)6-8-26(9-7-22)10-11-30-16-3-4-18-19(13-16)24-32-23-18/h2-5,12-13,25H,6-11,14H2,1H3
InChIKeyGSRZXKYWGRCMCL-UHFFFAOYSA-N
XLogP2.47
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The IUPAC name of N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide (CID 19045454) is N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide.
What is the SMILES notation for N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The canonical SMILES for N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCOc3ccc4nonc4c3)CC1)O2.
What is the InChIKey of N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The InChIKey is GSRZXKYWGRCMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-33(28,29)25-15-2-5-21-17(12-15)20(27)14-22(31-21)6-8-26(9-7-22)10-11-30-16-3-4-18-19(13-16)24-32-23-18/h2-5,12-13,25H,6-11,14H2,1H3.
What are the key properties of N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide?
N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide has a molecular weight of 472.52 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-[2-(2,1,3-benzoxadiazol-5-yloxy)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide is sourced from PubChem (CID 19045454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).