N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide

C15H24N2O4S — CID 27680670

IUPACN-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCCOCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C15H24N2O4S/c1-5-21-8-6-7-17-15(18)13-9-11(2)12(3)14(10-13)22(19,20)16-4/h9-10,16H,5-8H2,1-4H3,(H,17,18)
InChIKeyPHOOGVFXNKKSPI-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.37
Rot. Bonds8

About N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide

N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 27680670) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID27680670
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCCOCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C15H24N2O4S/c1-5-21-8-6-7-17-15(18)13-9-11(2)12(3)14(10-13)22(19,20)16-4/h9-10,16H,5-8H2,1-4H3,(H,17,18)
InChIKeyPHOOGVFXNKKSPI-UHFFFAOYSA-N
XLogP1.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide
CID 17476236
3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide
CID 55717475
3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
CID 27539196
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 78856270
3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 27648157
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27838680
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 46426506
3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
CID 113396113
3,4-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-5-(methylsulfamoyl)benzamide
CID 55514061

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 27680670) is N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CCOCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is PHOOGVFXNKKSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-21-8-6-7-17-15(18)13-9-11(2)12(3)14(10-13)22(19,20)16-4/h9-10,16H,5-8H2,1-4H3,(H,17,18).
What are the key properties of N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 328.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 27680670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).