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

C22H30N2O4S — CID 59941052

IUPACN-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide
SMILESCCCN(C1CC(C)(C)Oc2ccc(OCc3cccnc3)cc21)S(=O)(=O)CC
InChIInChI=1S/C22H30N2O4S/c1-5-12-24(29(25,26)6-2)20-14-22(3,4)28-21-10-9-18(13-19(20)21)27-16-17-8-7-11-23-15-17/h7-11,13,15,20H,5-6,12,14,16H2,1-4H3
InChIKeyRFFYKIXIMPSPPP-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.32
Rot. Bonds8

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

N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide (PubChem CID 59941052) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide
PubChem CID59941052
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide
SMILESCCCN(C1CC(C)(C)Oc2ccc(OCc3cccnc3)cc21)S(=O)(=O)CC
InChIInChI=1S/C22H30N2O4S/c1-5-12-24(29(25,26)6-2)20-14-22(3,4)28-21-10-9-18(13-19(20)21)27-16-17-8-7-11-23-15-17/h7-11,13,15,20H,5-6,12,14,16H2,1-4H3
InChIKeyRFFYKIXIMPSPPP-UHFFFAOYSA-N
XLogP4.32
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide
CID 59941116
N-(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-butylbutane-1-sulfonamide
CID 59941104
N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide
CID 59941111
4-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-methylsulfonylamino]butanoic acid
CID 59941134
N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941138
N-(4,4,4-trifluorobutyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 21257145
N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941013
ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate
CID 59941058
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
CID 59941103
6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
CID 19600765
7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461942

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide?
The IUPAC name of N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide (CID 59941052) is N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide.
What is the SMILES notation for N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide?
The canonical SMILES for N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide is CCCN(C1CC(C)(C)Oc2ccc(OCc3cccnc3)cc21)S(=O)(=O)CC.
What is the InChIKey of N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide?
The InChIKey is RFFYKIXIMPSPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-12-24(29(25,26)6-2)20-14-22(3,4)28-21-10-9-18(13-19(20)21)27-16-17-8-7-11-23-15-17/h7-11,13,15,20H,5-6,12,14,16H2,1-4H3.
What are the key properties of N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide?
N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide has a molecular weight of 418.56 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 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-propylethanesulfonamide is sourced from PubChem (CID 59941052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).