3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide

C17H28N2O4S — CID 27680531

IUPAC3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
SMILESCCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C17H28N2O4S/c1-5-19(6-2)24(21,22)16-13-15(10-9-14(16)4)17(20)18-11-8-12-23-7-3/h9-10,13H,5-8,11-12H2,1-4H3,(H,18,20)
InChIKeyKOQMPYTWIHBBSK-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.18
Rot. Bonds10

About 3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide

3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide (PubChem CID 27680531) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
PubChem CID27680531
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
SMILESCCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C17H28N2O4S/c1-5-19(6-2)24(21,22)16-13-15(10-9-14(16)4)17(20)18-11-8-12-23-7-3/h9-10,13H,5-8,11-12H2,1-4H3,(H,18,20)
InChIKeyKOQMPYTWIHBBSK-UHFFFAOYSA-N
XLogP2.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.18
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

3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894
3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537403
3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide
CID 26457205
methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate
CID 55609572
N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27680670
3-(diethylsulfamoyl)-4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396788
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide (CID 27680531) is 3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide is CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide?
The InChIKey is KOQMPYTWIHBBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-5-19(6-2)24(21,22)16-13-15(10-9-14(16)4)17(20)18-11-8-12-23-7-3/h9-10,13H,5-8,11-12H2,1-4H3,(H,18,20).
What are the key properties of 3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide?
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide has a molecular weight of 356.49 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide is sourced from PubChem (CID 27680531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).