N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide

C20H26N2O5S — CID 48599378

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-14-7-9-16(13-17(14)22-28(4,24)25)20(23)21-11-5-6-15-8-10-18(26-2)19(12-15)27-3/h7-10,12-13,22H,5-6,11H2,1-4H3,(H,21,23)
InChIKeyZLHDLUDZBAKPOH-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.75
Rot. Bonds9

About N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide

N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 48599378) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID48599378
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-14-7-9-16(13-17(14)22-28(4,24)25)20(23)21-11-5-6-15-8-10-18(26-2)19(12-15)27-3/h7-10,12-13,22H,5-6,11H2,1-4H3,(H,21,23)
InChIKeyZLHDLUDZBAKPOH-UHFFFAOYSA-N
XLogP2.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 99443545
N-[3-(3,4-dimethoxyphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 48586348
3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
CID 51078705
N-[3-(3,4-dimethoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 95091650
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 2232975
N-[3-(3,4-dimethoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 48586947
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
CID 48559736
4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 49021544
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,4-dimethylphenyl)acetamide
CID 100514824
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373626
N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-methylbenzamide
CID 59969584

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide (CID 48599378) is N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide is COc1ccc(CCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is ZLHDLUDZBAKPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14-7-9-16(13-17(14)22-28(4,24)25)20(23)21-11-5-6-15-8-10-18(26-2)19(12-15)27-3/h7-10,12-13,22H,5-6,11H2,1-4H3,(H,21,23).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 406.50 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 48599378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).