N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide

C18H23NO4S — CID 91669706

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1C
InChIInChI=1S/C18H23NO4S/c1-4-11-23-18-10-9-17(12-14(18)2)24(20,21)19-13-15-5-7-16(22-3)8-6-15/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyQJOJPUNMXWZLLK-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.27
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide

N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide (PubChem CID 91669706) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
PubChem CID91669706
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1C
InChIInChI=1S/C18H23NO4S/c1-4-11-23-18-10-9-17(12-14(18)2)24(20,21)19-13-15-5-7-16(22-3)8-6-15/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyQJOJPUNMXWZLLK-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(4-methoxyphenyl)methyl]-3-propoxybenzenesulfonamide
CID 91758593
4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 55639328
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-propoxybenzenesulfonamide
CID 16644771
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 110782101
4-bromo-3-ethoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 91758592
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28555152
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide (CID 91669706) is N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1C.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide?
The InChIKey is QJOJPUNMXWZLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-4-11-23-18-10-9-17(12-14(18)2)24(20,21)19-13-15-5-7-16(22-3)8-6-15/h5-10,12,19H,4,11,13H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide is sourced from PubChem (CID 91669706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).