2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide

C19H25NO4S — CID 113100388

IUPAC2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C19H25NO4S/c1-14(2)16-6-8-17(9-7-16)24-12-11-20-25(21,22)19-13-15(3)5-10-18(19)23-4/h5-10,13-14,20H,11-12H2,1-4H3
InChIKeySXQVQWALSWAHAF-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.48
Rot. Bonds8

About 2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide

2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide (PubChem CID 113100388) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
PubChem CID113100388
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C19H25NO4S/c1-14(2)16-6-8-17(9-7-16)24-12-11-20-25(21,22)19-13-15(3)5-10-18(19)23-4/h5-10,13-14,20H,11-12H2,1-4H3
InChIKeySXQVQWALSWAHAF-UHFFFAOYSA-N
XLogP3.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.48
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-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
CID 113102220
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113100965
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090
N-[2-(4-bromophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113099742

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide (CID 113100388) is 2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCOc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is SXQVQWALSWAHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-14(2)16-6-8-17(9-7-16)24-12-11-20-25(21,22)19-13-15(3)5-10-18(19)23-4/h5-10,13-14,20H,11-12H2,1-4H3.
What are the key properties of 2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 113100388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).