N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide

C15H23NO5S — CID 75524537

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide
SMILESCOCCOc1ccc(CNS(=O)(=O)C2CCOC2C)cc1
InChIInChI=1S/C15H23NO5S/c1-12-15(7-8-20-12)22(17,18)16-11-13-3-5-14(6-4-13)21-10-9-19-2/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyJNANHTRYKGCOSS-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.31
Rot. Bonds8

About N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide

N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide (PubChem CID 75524537) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide
PubChem CID75524537
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide
SMILESCOCCOc1ccc(CNS(=O)(=O)C2CCOC2C)cc1
InChIInChI=1S/C15H23NO5S/c1-12-15(7-8-20-12)22(17,18)16-11-13-3-5-14(6-4-13)21-10-9-19-2/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyJNANHTRYKGCOSS-UHFFFAOYSA-N
XLogP1.31
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.31
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

N-[[4-(2-methoxyethoxy)phenyl]methyl]ethanesulfonamide
CID 47372245
2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 119723266
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
N-(cyanomethyl)-2-methyloxolane-3-sulfonamide
CID 130689692
(2S,3R)-N-[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide
CID 122701540
methyl 4-[(2-methyloxolan-3-yl)sulfonylmethyl]benzoate
CID 107746500
2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane
CID 88773200
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55662373
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine
CID 82734709
4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545150
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide
CID 47070193
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide (CID 75524537) is N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide is COCCOc1ccc(CNS(=O)(=O)C2CCOC2C)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide?
The InChIKey is JNANHTRYKGCOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-12-15(7-8-20-12)22(17,18)16-11-13-3-5-14(6-4-13)21-10-9-19-2/h3-6,12,15-16H,7-11H2,1-2H3.
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide?
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide has a molecular weight of 329.42 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyloxolane-3-sulfonamide is sourced from PubChem (CID 75524537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).