N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide

C16H26N2O4S — CID 109063745

IUPACN-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)NCCCOC)c1
InChIInChI=1S/C16H26N2O4S/c1-4-5-11-18(2)16(19)14-8-6-9-15(13-14)23(20,21)17-10-7-12-22-3/h6,8-9,13,17H,4-5,7,10-12H2,1-3H3
InChIKeyYSFIZNODMDKMNF-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.87
Rot. Bonds10

About N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide

N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide (PubChem CID 109063745) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
PubChem CID109063745
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)NCCCOC)c1
InChIInChI=1S/C16H26N2O4S/c1-4-5-11-18(2)16(19)14-8-6-9-15(13-14)23(20,21)17-10-7-12-22-3/h6,8-9,13,17H,4-5,7,10-12H2,1-3H3
InChIKeyYSFIZNODMDKMNF-UHFFFAOYSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.87
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,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109064605
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064577
N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 119657426
N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide
CID 109064691
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide (CID 109063745) is N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide is CCCCN(C)C(=O)c1cccc(S(=O)(=O)NCCCOC)c1.
What is the InChIKey of N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide?
The InChIKey is YSFIZNODMDKMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-4-5-11-18(2)16(19)14-8-6-9-15(13-14)23(20,21)17-10-7-12-22-3/h6,8-9,13,17H,4-5,7,10-12H2,1-3H3.
What are the key properties of N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide?
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide has a molecular weight of 342.46 g/mol, XLogP of 1.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 109063745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).