4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide

C16H27N3O3S — CID 109060155

IUPAC4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C16H27N3O3S/c1-4-5-6-11-17-16(20)14-7-9-15(10-8-14)23(21,22)18-12-13-19(2)3/h7-10,18H,4-6,11-13H2,1-3H3,(H,17,20)
InChIKeyQDHKBUUKRWCHIQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.45
Rot. Bonds10

About 4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide

4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide (PubChem CID 109060155) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
PubChem CID109060155
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C16H27N3O3S/c1-4-5-6-11-17-16(20)14-7-9-15(10-8-14)23(21,22)18-12-13-19(2)3/h7-10,18H,4-6,11-13H2,1-3H3,(H,17,20)
InChIKeyQDHKBUUKRWCHIQ-UHFFFAOYSA-N
XLogP1.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.45
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

N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 82164625
4-[2-(dimethylamino)ethylsulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 109060145
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481
N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060135
N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide
CID 109061034
N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide
CID 53361066
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide?
The IUPAC name of 4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide (CID 109060155) is 4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide?
The canonical SMILES for 4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide is CCCCCNC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide?
The InChIKey is QDHKBUUKRWCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-4-5-6-11-17-16(20)14-7-9-15(10-8-14)23(21,22)18-12-13-19(2)3/h7-10,18H,4-6,11-13H2,1-3H3,(H,17,20).
What are the key properties of 4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide?
4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide has a molecular weight of 341.48 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide is sourced from PubChem (CID 109060155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).