3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide

C22H31N3O4S — CID 2480845

IUPAC3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCN(C)C)ccc1OC
InChIInChI=1S/C22H31N3O4S/c1-5-25(17-18-10-7-6-8-11-18)30(27,28)21-16-19(12-13-20(21)29-4)22(26)23-14-9-15-24(2)3/h6-8,10-13,16H,5,9,14-15,17H2,1-4H3,(H,23,26)
InChIKeyYZGGDDAZRZICLL-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.59
Rot. Bonds11

About 3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide

3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide (PubChem CID 2480845) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide
PubChem CID2480845
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCN(C)C)ccc1OC
InChIInChI=1S/C22H31N3O4S/c1-5-25(17-18-10-7-6-8-11-18)30(27,28)21-16-19(12-13-20(21)29-4)22(26)23-14-9-15-24(2)3/h6-8,10-13,16H,5,9,14-15,17H2,1-4H3,(H,23,26)
InChIKeyYZGGDDAZRZICLL-UHFFFAOYSA-N
XLogP2.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide?
The IUPAC name of 3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide (CID 2480845) is 3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide?
The canonical SMILES for 3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide is CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCN(C)C)ccc1OC.
What is the InChIKey of 3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide?
The InChIKey is YZGGDDAZRZICLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-5-25(17-18-10-7-6-8-11-18)30(27,28)21-16-19(12-13-20(21)29-4)22(26)23-14-9-15-24(2)3/h6-8,10-13,16H,5,9,14-15,17H2,1-4H3,(H,23,26).
What are the key properties of 3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide?
3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide has a molecular weight of 433.57 g/mol, XLogP of 2.59, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide is sourced from PubChem (CID 2480845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).