N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide

C22H26N2O5S — CID 24759900

IUPACN-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide
SMILESCC1(C)CC2(CN(Cc3ccc(NS(C)(=O)=O)cc3)C(=O)CO2)c2ccccc2O1
InChIInChI=1S/C22H26N2O5S/c1-21(2)14-22(18-6-4-5-7-19(18)29-21)15-24(20(25)13-28-22)12-16-8-10-17(11-9-16)23-30(3,26)27/h4-11,23H,12-15H2,1-3H3
InChIKeyKPARAMDBOSMEEA-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.87
Rot. Bonds4

About N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide

N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide (PubChem CID 24759900) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide
PubChem CID24759900
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide
SMILESCC1(C)CC2(CN(Cc3ccc(NS(C)(=O)=O)cc3)C(=O)CO2)c2ccccc2O1
InChIInChI=1S/C22H26N2O5S/c1-21(2)14-22(18-6-4-5-7-19(18)29-21)15-24(20(25)13-28-22)12-16-8-10-17(11-9-16)23-30(3,26)27/h4-11,23H,12-15H2,1-3H3
InChIKeyKPARAMDBOSMEEA-UHFFFAOYSA-N
XLogP2.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide (CID 24759900) is N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide is CC1(C)CC2(CN(Cc3ccc(NS(C)(=O)=O)cc3)C(=O)CO2)c2ccccc2O1.
What is the InChIKey of N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide?
The InChIKey is KPARAMDBOSMEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-21(2)14-22(18-6-4-5-7-19(18)29-21)15-24(20(25)13-28-22)12-16-8-10-17(11-9-16)23-30(3,26)27/h4-11,23H,12-15H2,1-3H3.
What are the key properties of N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide?
N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,2-dimethyl-5'-oxospiro[3H-chromene-4,2'-morpholine]-4'-yl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 24759900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).