N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

C19H33NO4S — CID 3706171

IUPACN,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H33NO4S/c1-8-23-12-10-20(11-13-24-9-2)25(21,22)19-17(6)15(4)14(3)16(5)18(19)7/h8-13H2,1-7H3
InChIKeyNGVTVOBTZLHGEH-UHFFFAOYSA-N
MW371.54 g/mol
LogP3.29
Rot. Bonds10

About N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 3706171) has the molecular formula C19H33NO4S and a molecular weight of 371.54 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID3706171
Molecular FormulaC19H33NO4S
Molecular Weight371.54 g/mol
Exact Mass371.21
IUPAC NameN,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H33NO4S/c1-8-23-12-10-20(11-13-24-9-2)25(21,22)19-17(6)15(4)14(3)16(5)18(19)7/h8-13H2,1-7H3
InChIKeyNGVTVOBTZLHGEH-UHFFFAOYSA-N
XLogP3.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.54
LogP ≤ 53.29
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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Related Compounds

N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952267
4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide
CID 3821573
5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide
CID 5380153
N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide
CID 82939428
N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 82940209
5-(chloromethyl)-N,N-bis(2-ethoxyethyl)furan-2-sulfonamide
CID 82943299
2-amino-N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952398
1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide
CID 82953278
4-(bromomethyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 65481240
N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide
CID 3332180
N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide
CID 82953041
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
CID 82965858

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 3706171) is N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is CCOCCN(CCOCC)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is NGVTVOBTZLHGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4S/c1-8-23-12-10-20(11-13-24-9-2)25(21,22)19-17(6)15(4)14(3)16(5)18(19)7/h8-13H2,1-7H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 371.54 g/mol, XLogP of 3.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 3706171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).