N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide

C19H31NO4S — CID 59941106

IUPACN-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCCCO)C1CC(C)(C)Oc2ccc(C)cc21
InChIInChI=1S/C19H31NO4S/c1-5-25(22,23)20(11-7-6-8-12-21)17-14-19(3,4)24-18-10-9-15(2)13-16(17)18/h9-10,13,17,21H,5-8,11-12,14H2,1-4H3
InChIKeyPXUBWCGPMMPRAC-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.41
Rot. Bonds8

About N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide

N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide (PubChem CID 59941106) has the molecular formula C19H31NO4S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
PubChem CID59941106
Molecular FormulaC19H31NO4S
Molecular Weight369.53 g/mol
Exact Mass369.20
IUPAC NameN-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCCCO)C1CC(C)(C)Oc2ccc(C)cc21
InChIInChI=1S/C19H31NO4S/c1-5-25(22,23)20(11-7-6-8-12-21)17-14-19(3,4)24-18-10-9-15(2)13-16(17)18/h9-10,13,17,21H,5-8,11-12,14H2,1-4H3
InChIKeyPXUBWCGPMMPRAC-UHFFFAOYSA-N
XLogP3.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4,4,4-trifluorobutyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 21257145
N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941138
N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide
CID 59941111
5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide
CID 15859753
N-(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-butylbutane-1-sulfonamide
CID 59941104
N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941013
N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-ethylethanesulfonamide
CID 21257146
4-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-methylsulfonylamino]butanoic acid
CID 59941134
N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide
CID 59941052
N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
CID 59941103
4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
CID 15338757
N-[6-(4-bromophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
CID 22447236

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide (CID 59941106) is N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide is CCS(=O)(=O)N(CCCCCO)C1CC(C)(C)Oc2ccc(C)cc21.
What is the InChIKey of N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The InChIKey is PXUBWCGPMMPRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4S/c1-5-25(22,23)20(11-7-6-8-12-21)17-14-19(3,4)24-18-10-9-15(2)13-16(17)18/h9-10,13,17,21H,5-8,11-12,14H2,1-4H3.
What are the key properties of N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide has a molecular weight of 369.53 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide is sourced from PubChem (CID 59941106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).