4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide

C14H22N2O4S — CID 110417973

IUPAC4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
SMILESCOCCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-16(2)21(18,19)13-8-6-12(7-9-13)14(17)15-10-4-5-11-20-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyOWBDFNFNRMVLPI-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.09
Rot. Bonds8

About 4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide

4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide (PubChem CID 110417973) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
PubChem CID110417973
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
SMILESCOCCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-16(2)21(18,19)13-8-6-12(7-9-13)14(17)15-10-4-5-11-20-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyOWBDFNFNRMVLPI-UHFFFAOYSA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.09
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

methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200
N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 18120892
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide
CID 2224678
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297875
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
N-[2-(2-methoxyethoxy)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55685287
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716261
N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 2468773
4-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 62175950
4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010487

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide (CID 110417973) is 4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide is COCCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide?
The InChIKey is OWBDFNFNRMVLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-16(2)21(18,19)13-8-6-12(7-9-13)14(17)15-10-4-5-11-20-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17).
What are the key properties of 4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide?
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide has a molecular weight of 314.41 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide is sourced from PubChem (CID 110417973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).