4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide

C25H29NO6S — CID 55639172

IUPAC4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)cc1C
InChIInChI=1S/C25H29NO6S/c1-19-15-22(10-12-23(19)31-14-13-29-2)33(27,28)26-17-21-9-11-24(25(16-21)30-3)32-18-20-7-5-4-6-8-20/h4-12,15-16,26H,13-14,17-18H2,1-3H3
InChIKeyKEEFNSYRERFERC-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.09
Rot. Bonds12

About 4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide

4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide (PubChem CID 55639172) has the molecular formula C25H29NO6S and a molecular weight of 471.58 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide
PubChem CID55639172
Molecular FormulaC25H29NO6S
Molecular Weight471.58 g/mol
Exact Mass471.17
IUPAC Name4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)cc1C
InChIInChI=1S/C25H29NO6S/c1-19-15-22(10-12-23(19)31-14-13-29-2)33(27,28)26-17-21-9-11-24(25(16-21)30-3)32-18-20-7-5-4-6-8-20/h4-12,15-16,26H,13-14,17-18H2,1-3H3
InChIKeyKEEFNSYRERFERC-UHFFFAOYSA-N
XLogP4.09
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 28534651
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747
4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 55639328
3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665317
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43593541
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
4-(2-methoxyethoxy)-3-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 55639102
N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 91669706
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873559
(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide
CID 8802776
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide (CID 55639172) is 4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide is COCCOc1ccc(S(=O)(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)cc1C.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is KEEFNSYRERFERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO6S/c1-19-15-22(10-12-23(19)31-14-13-29-2)33(27,28)26-17-21-9-11-24(25(16-21)30-3)32-18-20-7-5-4-6-8-20/h4-12,15-16,26H,13-14,17-18H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide?
4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 471.58 g/mol, XLogP of 4.09, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 55639172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).