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

C19H31NO4S — CID 59941138

IUPACN-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
SMILESCCOCCCN(C1CC(C)(C)Oc2ccc(C)cc21)S(=O)(=O)CC
InChIInChI=1S/C19H31NO4S/c1-6-23-12-8-11-20(25(21,22)7-2)17-14-19(4,5)24-18-10-9-15(3)13-16(17)18/h9-10,13,17H,6-8,11-12,14H2,1-5H3
InChIKeyGWSYFPJIUSSSBX-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.68
Rot. Bonds8

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

N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide (PubChem CID 59941138) has the molecular formula C19H31NO4S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
PubChem CID59941138
Molecular FormulaC19H31NO4S
Molecular Weight369.53 g/mol
Exact Mass369.20
IUPAC NameN-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
SMILESCCOCCCN(C1CC(C)(C)Oc2ccc(C)cc21)S(=O)(=O)CC
InChIInChI=1S/C19H31NO4S/c1-6-23-12-8-11-20(25(21,22)7-2)17-14-19(4,5)24-18-10-9-15(3)13-16(17)18/h9-10,13,17H,6-8,11-12,14H2,1-5H3
InChIKeyGWSYFPJIUSSSBX-UHFFFAOYSA-N
XLogP3.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide (CID 59941138) is N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide is CCOCCCN(C1CC(C)(C)Oc2ccc(C)cc21)S(=O)(=O)CC.
What is the InChIKey of N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The InChIKey is GWSYFPJIUSSSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4S/c1-6-23-12-8-11-20(25(21,22)7-2)17-14-19(4,5)24-18-10-9-15(3)13-16(17)18/h9-10,13,17H,6-8,11-12,14H2,1-5H3.
What are the key properties of N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide has a molecular weight of 369.53 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide is sourced from PubChem (CID 59941138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).