N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide

C19H25NO4S — CID 19680884

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H25NO4S/c1-4-5-15-6-9-17(10-7-15)25(21,22)20-13-12-16-8-11-18(23-2)19(14-16)24-3/h6-11,14,20H,4-5,12-13H2,1-3H3
InChIKeySMADYHSVHMSZAU-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.18
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide (PubChem CID 19680884) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
PubChem CID19680884
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H25NO4S/c1-4-5-15-6-9-17(10-7-15)25(21,22)20-13-12-16-8-11-18(23-2)19(14-16)24-3/h6-11,14,20H,4-5,12-13H2,1-3H3
InChIKeySMADYHSVHMSZAU-UHFFFAOYSA-N
XLogP3.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide
CID 22687456
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3699992
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide
CID 126258628
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148827
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-2-(propylamino)benzoic acid
CID 99984969
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 126247258
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 22201245
methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate
CID 31701712

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide (CID 19680884) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide?
The InChIKey is SMADYHSVHMSZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-4-5-15-6-9-17(10-7-15)25(21,22)20-13-12-16-8-11-18(23-2)19(14-16)24-3/h6-11,14,20H,4-5,12-13H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 19680884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).