3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide

C20H26N2O5S — CID 55666210

IUPAC3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C20H26N2O5S/c1-14(15-6-5-7-17(12-15)22-28(4,24)25)21-20(23)11-8-16-13-18(26-2)9-10-19(16)27-3/h5-7,9-10,12-14,22H,8,11H2,1-4H3,(H,21,23)
InChIKeyBPDSGEBUZHPQSI-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.89
Rot. Bonds9

About 3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide

3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide (PubChem CID 55666210) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
PubChem CID55666210
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C20H26N2O5S/c1-14(15-6-5-7-17(12-15)22-28(4,24)25)21-20(23)11-8-16-13-18(26-2)9-10-19(16)27-3/h5-7,9-10,12-14,22H,8,11H2,1-4H3,(H,21,23)
InChIKeyBPDSGEBUZHPQSI-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 55666139
3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55711196
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
3-(2,5-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 134046801
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754253
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
3-(2,3-dimethylphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55711377
N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 55575144
2-(2-ethoxyphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55711360
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide (CID 55666210) is 3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide is COc1ccc(OC)c(CCC(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
The InChIKey is BPDSGEBUZHPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14(15-6-5-7-17(12-15)22-28(4,24)25)21-20(23)11-8-16-13-18(26-2)9-10-19(16)27-3/h5-7,9-10,12-14,22H,8,11H2,1-4H3,(H,21,23).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide has a molecular weight of 406.50 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide is sourced from PubChem (CID 55666210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).