4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide

C18H23NO4S — CID 43904682

IUPAC4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO4S/c1-5-17(14-6-8-15(22-3)9-7-14)19-24(20,21)16-10-11-18(23-4)13(2)12-16/h6-12,17,19H,5H2,1-4H3
InChIKeyYHUOHFBFAVCBDK-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.44
Rot. Bonds7

About 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide

4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide (PubChem CID 43904682) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
PubChem CID43904682
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO4S/c1-5-17(14-6-8-15(22-3)9-7-14)19-24(20,21)16-10-11-18(23-4)13(2)12-16/h6-12,17,19H,5H2,1-4H3
InChIKeyYHUOHFBFAVCBDK-UHFFFAOYSA-N
XLogP3.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
CID 112823035
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate
CID 133161339
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
CID 93486219
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
CID 133158390
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide
CID 133162271
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 28575587

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide (CID 43904682) is 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide is CCC(NS(=O)(=O)c1ccc(OC)c(C)c1)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide?
The InChIKey is YHUOHFBFAVCBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-5-17(14-6-8-15(22-3)9-7-14)19-24(20,21)16-10-11-18(23-4)13(2)12-16/h6-12,17,19H,5H2,1-4H3.
What are the key properties of 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide?
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 43904682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).