2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide

C14H22N2O6S — CID 113000933

IUPAC2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCCS(=O)(=O)NCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H22N2O6S/c1-5-6-23(18,19)15-9-13(17)16-10-7-11(20-2)14(22-4)12(8-10)21-3/h7-8,15H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyYGDGFMRVFXHCKN-UHFFFAOYSA-N
MW346.41 g/mol
LogP0.98
Rot. Bonds9

About 2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 113000933) has the molecular formula C14H22N2O6S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID113000933
Molecular FormulaC14H22N2O6S
Molecular Weight346.41 g/mol
Exact Mass346.12
IUPAC Name2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCCS(=O)(=O)NCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H22N2O6S/c1-5-6-23(18,19)15-9-13(17)16-10-7-11(20-2)14(22-4)12(8-10)21-3/h7-8,15H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyYGDGFMRVFXHCKN-UHFFFAOYSA-N
XLogP0.98
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
CID 112998367
N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide
CID 112998937
2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000941
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109011622
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040
2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113148409
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 78908488
3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109012524
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999249

Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 113000933) is 2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide is CCCS(=O)(=O)NCC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is YGDGFMRVFXHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6S/c1-5-6-23(18,19)15-9-13(17)16-10-7-11(20-2)14(22-4)12(8-10)21-3/h7-8,15H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of 2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 113000933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).