N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide

C19H25NO4S — CID 22201245

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC(C)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H25NO4S/c1-5-6-15-7-10-17(11-8-15)25(21,22)20-14(2)16-9-12-18(23-3)19(13-16)24-4/h7-14,20H,5-6H2,1-4H3
InChIKeyOJYYDIWMWLUZKN-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.70
Rot. Bonds8

About N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide (PubChem CID 22201245) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
PubChem CID22201245
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC(C)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H25NO4S/c1-5-6-15-7-10-17(11-8-15)25(21,22)20-14(2)16-9-12-18(23-3)19(13-16)24-4/h7-14,20H,5-6H2,1-4H3
InChIKeyOJYYDIWMWLUZKN-UHFFFAOYSA-N
XLogP3.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 43886103
2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204679
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 18097055
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 40730942

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide (CID 22201245) is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NC(C)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide?
The InChIKey is OJYYDIWMWLUZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-5-6-15-7-10-17(11-8-15)25(21,22)20-14(2)16-9-12-18(23-3)19(13-16)24-4/h7-14,20H,5-6H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 22201245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).