4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide

C20H27NO5S — CID 55639328

IUPAC4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1C
InChIInChI=1S/C20H27NO5S/c1-15(2)26-18-7-5-17(6-8-18)14-21-27(22,23)19-9-10-20(16(3)13-19)25-12-11-24-4/h5-10,13,15,21H,11-12,14H2,1-4H3
InChIKeyCJMNREWOEGHORF-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.29
Rot. Bonds10

About 4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide

4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide (PubChem CID 55639328) has the molecular formula C20H27NO5S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
PubChem CID55639328
Molecular FormulaC20H27NO5S
Molecular Weight393.51 g/mol
Exact Mass393.16
IUPAC Name4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1C
InChIInChI=1S/C20H27NO5S/c1-15(2)26-18-7-5-17(6-8-18)14-21-27(22,23)19-9-10-20(16(3)13-19)25-12-11-24-4/h5-10,13,15,21H,11-12,14H2,1-4H3
InChIKeyCJMNREWOEGHORF-UHFFFAOYSA-N
XLogP3.29
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268
N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 91669706
4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 110782101
4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 55639172
4-(2-methoxyethoxy)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 55639292
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
methyl 2-bromo-5-[(4-propan-2-yloxyphenyl)methylsulfamoyl]benzoate
CID 55921674
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide
CID 46417508
4-(2-methoxyethoxy)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 46457688
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide (CID 55639328) is 4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1C.
What is the InChIKey of 4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The InChIKey is CJMNREWOEGHORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5S/c1-15(2)26-18-7-5-17(6-8-18)14-21-27(22,23)19-9-10-20(16(3)13-19)25-12-11-24-4/h5-10,13,15,21H,11-12,14H2,1-4H3.
What are the key properties of 4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 55639328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).