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

C23H29N3O6S2 — CID 10255678

IUPACN-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCN2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc1
InChIInChI=1S/C23H29N3O6S2/c1-33(28,29)24-18-5-3-17(4-6-18)9-12-26-13-10-23(11-14-26)16-21(27)20-15-19(25-34(2,30)31)7-8-22(20)32-23/h3-8,15,24-25H,9-14,16H2,1-2H3
InChIKeySBEXAKLNNFRGOH-UHFFFAOYSA-N
MW507.63 g/mol
LogP2.47
Rot. Bonds7

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

N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide (PubChem CID 10255678) has the molecular formula C23H29N3O6S2 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide
PubChem CID10255678
Molecular FormulaC23H29N3O6S2
Molecular Weight507.63 g/mol
Exact Mass507.15
IUPAC NameN-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCN2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc1
InChIInChI=1S/C23H29N3O6S2/c1-33(28,29)24-18-5-3-17(4-6-18)9-12-26-13-10-23(11-14-26)16-21(27)20-15-19(25-34(2,30)31)7-8-22(20)32-23/h3-8,15,24-25H,9-14,16H2,1-2H3
InChIKeySBEXAKLNNFRGOH-UHFFFAOYSA-N
XLogP2.47
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.63
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide (CID 10255678) is N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CCN2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc1.
What is the InChIKey of N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide?
The InChIKey is SBEXAKLNNFRGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S2/c1-33(28,29)24-18-5-3-17(4-6-18)9-12-26-13-10-23(11-14-26)16-21(27)20-15-19(25-34(2,30)31)7-8-22(20)32-23/h3-8,15,24-25H,9-14,16H2,1-2H3.
What are the key properties of N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide has a molecular weight of 507.63 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[6-(methanesulfonamido)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 10255678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).