N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide

C21H28N2O6S — CID 24513463

IUPACN-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)Cc2ccc(OC)c(OC)c2OC)c1
InChIInChI=1S/C21H28N2O6S/c1-5-6-12-22-30(25,26)17-9-7-8-16(14-17)23-19(24)13-15-10-11-18(27-2)21(29-4)20(15)28-3/h7-11,14,22H,5-6,12-13H2,1-4H3,(H,23,24)
InChIKeyBVLBIEANBATBDI-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.97
Rot. Bonds11

About N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide

N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 24513463) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID24513463
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)Cc2ccc(OC)c(OC)c2OC)c1
InChIInChI=1S/C21H28N2O6S/c1-5-6-12-22-30(25,26)17-9-7-8-16(14-17)23-19(24)13-15-10-11-18(27-2)21(29-4)20(15)28-3/h7-11,14,22H,5-6,12-13H2,1-4H3,(H,23,24)
InChIKeyBVLBIEANBATBDI-UHFFFAOYSA-N
XLogP2.97
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 17419461
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26698637
4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
CID 24512899
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide
CID 17482935
N-(4-ethoxy-3-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531081
N-[3-(tert-butylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 9108242
N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
CID 46547078
N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide
CID 126830291
4-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]benzamide
CID 17463761

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide (CID 24513463) is N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide is CCCCNS(=O)(=O)c1cccc(NC(=O)Cc2ccc(OC)c(OC)c2OC)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is BVLBIEANBATBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-5-6-12-22-30(25,26)17-9-7-8-16(14-17)23-19(24)13-15-10-11-18(27-2)21(29-4)20(15)28-3/h7-11,14,22H,5-6,12-13H2,1-4H3,(H,23,24).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 436.53 g/mol, XLogP of 2.97, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 24513463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).