N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide

C15H24N2O4S — CID 109062648

IUPACN-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
SMILESCOCCCNC(=O)c1cccc(S(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C15H24N2O4S/c1-12(2)11-17-22(19,20)14-7-4-6-13(10-14)15(18)16-8-5-9-21-3/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,16,18)
InChIKeyUFJCCFYPXKCNDV-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.39
Rot. Bonds9

About N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide

N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide (PubChem CID 109062648) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
PubChem CID109062648
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
SMILESCOCCCNC(=O)c1cccc(S(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C15H24N2O4S/c1-12(2)11-17-22(19,20)14-7-4-6-13(10-14)15(18)16-8-5-9-21-3/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,16,18)
InChIKeyUFJCCFYPXKCNDV-UHFFFAOYSA-N
XLogP1.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.39
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-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062685
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063736
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide (CID 109062648) is N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide is COCCCNC(=O)c1cccc(S(=O)(=O)NCC(C)C)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is UFJCCFYPXKCNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12(2)11-17-22(19,20)14-7-4-6-13(10-14)15(18)16-8-5-9-21-3/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide?
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 328.43 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 109062648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).