4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide

C21H27N3O7S — CID 24512899

IUPAC4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1
InChIInChI=1S/C21H27N3O7S/c1-4-5-9-23-32(27,28)16-8-6-7-15(12-16)24-21(26)14-10-17(29-2)20(18(11-14)30-3)31-13-19(22)25/h6-8,10-12,23H,4-5,9,13H2,1-3H3,(H2,22,25)(H,24,26)
InChIKeyGRBGQTKDIKNWMT-UHFFFAOYSA-N
MW465.53 g/mol
LogP1.90
Rot. Bonds12

About 4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 24512899) has the molecular formula C21H27N3O7S and a molecular weight of 465.53 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
PubChem CID24512899
Molecular FormulaC21H27N3O7S
Molecular Weight465.53 g/mol
Exact Mass465.16
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1
InChIInChI=1S/C21H27N3O7S/c1-4-5-9-23-32(27,28)16-8-6-7-15(12-16)24-21(26)14-10-17(29-2)20(18(11-14)30-3)31-13-19(22)25/h6-8,10-12,23H,4-5,9,13H2,1-3H3,(H2,22,25)(H,24,26)
InChIKeyGRBGQTKDIKNWMT-UHFFFAOYSA-N
XLogP1.90
TPSA146.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26698637
N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24513463
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
N-[3-(butylsulfamoyl)phenyl]isoquinoline-1-carboxamide
CID 47084317
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 27901919
3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
CID 9413012
N-(3-methoxyphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061401
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
CID 26252009
N-(2-methoxyphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065384

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide (CID 24512899) is 4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide is CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is GRBGQTKDIKNWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O7S/c1-4-5-9-23-32(27,28)16-8-6-7-15(12-16)24-21(26)14-10-17(29-2)20(18(11-14)30-3)31-13-19(22)25/h6-8,10-12,23H,4-5,9,13H2,1-3H3,(H2,22,25)(H,24,26).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 465.53 g/mol, XLogP of 1.90, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 24512899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).