5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide

C22H31N3O3S — CID 26177992

IUPAC5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCCN(C)c2ccccc2)c1
InChIInChI=1S/C22H31N3O3S/c1-5-25(6-2)29(27,28)20-14-13-18(3)21(17-20)22(26)23-15-10-16-24(4)19-11-8-7-9-12-19/h7-9,11-14,17H,5-6,10,15-16H2,1-4H3,(H,23,26)
InChIKeyYVXAZGBWNDKSED-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.28
Rot. Bonds10

About 5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide

5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 26177992) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID26177992
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCCN(C)c2ccccc2)c1
InChIInChI=1S/C22H31N3O3S/c1-5-25(6-2)29(27,28)20-14-13-18(3)21(17-20)22(26)23-15-10-16-24(4)19-11-8-7-9-12-19/h7-9,11-14,17H,5-6,10,15-16H2,1-4H3,(H,23,26)
InChIKeyYVXAZGBWNDKSED-UHFFFAOYSA-N
XLogP3.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide
CID 25336077
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
CID 120645211
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
CID 112810441
3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 27897925
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
5-(diethylsulfamoyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methylbenzamide
CID 26635620
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 20861509
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide (CID 26177992) is 5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCCN(C)c2ccccc2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is YVXAZGBWNDKSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-5-25(6-2)29(27,28)20-14-13-18(3)21(17-20)22(26)23-15-10-16-24(4)19-11-8-7-9-12-19/h7-9,11-14,17H,5-6,10,15-16H2,1-4H3,(H,23,26).
What are the key properties of 5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide?
5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 417.58 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 26177992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).