N,N-diethyl-3-(pentylsulfamoyl)benzamide

C16H26N2O3S — CID 109065070

IUPACN,N-diethyl-3-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C16H26N2O3S/c1-4-7-8-12-17-22(20,21)15-11-9-10-14(13-15)16(19)18(5-2)6-3/h9-11,13,17H,4-8,12H2,1-3H3
InChIKeyRLUFPBPIAONKRC-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.64
Rot. Bonds9

About N,N-diethyl-3-(pentylsulfamoyl)benzamide

N,N-diethyl-3-(pentylsulfamoyl)benzamide (PubChem CID 109065070) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N,N-diethyl-3-(pentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(pentylsulfamoyl)benzamide
PubChem CID109065070
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN,N-diethyl-3-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C16H26N2O3S/c1-4-7-8-12-17-22(20,21)15-11-9-10-14(13-15)16(19)18(5-2)6-3/h9-11,13,17H,4-8,12H2,1-3H3
InChIKeyRLUFPBPIAONKRC-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
N-butyl-3-(2-methylpropanoyl)benzenesulfonamide
CID 39383401
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
CID 109063745
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
3-(propylsulfamoyl)benzoic acid
CID 2442822
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 38550193

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(pentylsulfamoyl)benzamide?
The IUPAC name of N,N-diethyl-3-(pentylsulfamoyl)benzamide (CID 109065070) is N,N-diethyl-3-(pentylsulfamoyl)benzamide.
What is the SMILES notation for N,N-diethyl-3-(pentylsulfamoyl)benzamide?
The canonical SMILES for N,N-diethyl-3-(pentylsulfamoyl)benzamide is CCCCCNS(=O)(=O)c1cccc(C(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-3-(pentylsulfamoyl)benzamide?
The InChIKey is RLUFPBPIAONKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-4-7-8-12-17-22(20,21)15-11-9-10-14(13-15)16(19)18(5-2)6-3/h9-11,13,17H,4-8,12H2,1-3H3.
What are the key properties of N,N-diethyl-3-(pentylsulfamoyl)benzamide?
N,N-diethyl-3-(pentylsulfamoyl)benzamide has a molecular weight of 326.46 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(pentylsulfamoyl)benzamide is sourced from PubChem (CID 109065070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).