N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide

C14H23NO4S — CID 2304526

IUPACN-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)c(S(=O)(=O)NCCOC)cc1C
InChIInChI=1S/C14H23NO4S/c1-5-7-19-13-9-12(3)14(10-11(13)2)20(16,17)15-6-8-18-4/h9-10,15H,5-8H2,1-4H3
InChIKeyRKMGNWZKEAGNBY-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.02
Rot. Bonds8

About N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide

N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide (PubChem CID 2304526) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide
PubChem CID2304526
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)c(S(=O)(=O)NCCOC)cc1C
InChIInChI=1S/C14H23NO4S/c1-5-7-19-13-9-12(3)14(10-11(13)2)20(16,17)15-6-8-18-4/h9-10,15H,5-8H2,1-4H3
InChIKeyRKMGNWZKEAGNBY-UHFFFAOYSA-N
XLogP2.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide
CID 3148555
N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide
CID 2992053
4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991860
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044
N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 934725
2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 2147485
4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 2224391
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2231172
4-methoxy-3-methyl-N-(1-methylbutyl)benzenesulfonamide
CID 2954109
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542
Methyl 2,3,5-trimethyl-4-(4-morpholinylsulfonyl)phenyl ether
CID 1085560

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide (CID 2304526) is N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide is CCCOc1cc(C)c(S(=O)(=O)NCCOC)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide?
The InChIKey is RKMGNWZKEAGNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-5-7-19-13-9-12(3)14(10-11(13)2)20(16,17)15-6-8-18-4/h9-10,15H,5-8H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide?
N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,5-dimethyl-4-propoxybenzenesulfonamide is sourced from PubChem (CID 2304526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).