N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide

C19H31NO4S — CID 59941013

IUPACN-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
SMILESCCCCN(C1CC(C)(C)Oc2cc(OC)c(C)cc21)S(=O)(=O)CC
InChIInChI=1S/C19H31NO4S/c1-7-9-10-20(25(21,22)8-2)16-13-19(4,5)24-18-12-17(23-6)14(3)11-15(16)18/h11-12,16H,7-10,13H2,1-6H3
InChIKeyQBBWBOJUNAXXCZ-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.06
Rot. Bonds7

About N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide

N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide (PubChem CID 59941013) has the molecular formula C19H31NO4S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
PubChem CID59941013
Molecular FormulaC19H31NO4S
Molecular Weight369.53 g/mol
Exact Mass369.20
IUPAC NameN-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
SMILESCCCCN(C1CC(C)(C)Oc2cc(OC)c(C)cc21)S(=O)(=O)CC
InChIInChI=1S/C19H31NO4S/c1-7-9-10-20(25(21,22)8-2)16-13-19(4,5)24-18-12-17(23-6)14(3)11-15(16)18/h11-12,16H,7-10,13H2,1-6H3
InChIKeyQBBWBOJUNAXXCZ-UHFFFAOYSA-N
XLogP4.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941138
N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941106
N-(4,4,4-trifluorobutyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 21257145
N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)-N-(4,4,4-trifluorobutyl)ethanesulfonamide
CID 21257127
4-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-methylsulfonylamino]butanoic acid
CID 59941134
N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-ethylethanesulfonamide
CID 21257146
N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide
CID 59941052
5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide
CID 15859753
ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate
CID 59941058
6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 14334290

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The IUPAC name of N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide (CID 59941013) is N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide.
What is the SMILES notation for N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The canonical SMILES for N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide is CCCCN(C1CC(C)(C)Oc2cc(OC)c(C)cc21)S(=O)(=O)CC.
What is the InChIKey of N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The InChIKey is QBBWBOJUNAXXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4S/c1-7-9-10-20(25(21,22)8-2)16-13-19(4,5)24-18-12-17(23-6)14(3)11-15(16)18/h11-12,16H,7-10,13H2,1-6H3.
What are the key properties of N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide has a molecular weight of 369.53 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide is sourced from PubChem (CID 59941013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).