N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide

C21H28N2O5S — CID 59941116

IUPACN-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(C1CC(C)(C)Oc2ccc(OCc3cccnc3)cc21)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-21(2)13-19(23(10-11-26-3)29(4,24)25)18-12-17(7-8-20(18)28-21)27-15-16-6-5-9-22-14-16/h5-9,12,14,19H,10-11,13,15H2,1-4H3
InChIKeyVYDOAYUYFUEGHR-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.17
Rot. Bonds8

About N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide

N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 59941116) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide
PubChem CID59941116
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(C1CC(C)(C)Oc2ccc(OCc3cccnc3)cc21)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-21(2)13-19(23(10-11-26-3)29(4,24)25)18-12-17(7-8-20(18)28-21)27-15-16-6-5-9-22-14-16/h5-9,12,14,19H,10-11,13,15H2,1-4H3
InChIKeyVYDOAYUYFUEGHR-UHFFFAOYSA-N
XLogP3.17
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide with MolForge

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Related Compounds

N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide
CID 59941052
ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate
CID 59941058
4-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-methylsulfonylamino]butanoic acid
CID 59941134
N-(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-butylbutane-1-sulfonamide
CID 59941104
7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461942
2-[3-(pyridin-3-ylmethoxy)phenoxy]ethyl methanesulfonate
CID 142737103
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
1-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632597
6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
CID 19600765
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 126780431
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide (CID 59941116) is N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide is COCCN(C1CC(C)(C)Oc2ccc(OCc3cccnc3)cc21)S(C)(=O)=O.
What is the InChIKey of N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is VYDOAYUYFUEGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-21(2)13-19(23(10-11-26-3)29(4,24)25)18-12-17(7-8-20(18)28-21)27-15-16-6-5-9-22-14-16/h5-9,12,14,19H,10-11,13,15H2,1-4H3.
What are the key properties of N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide?
N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 59941116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).