N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide

C14H20N2O3S — CID 115640375

IUPACN,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide
SMILESC=CCCCN(C)C(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C14H20N2O3S/c1-4-5-6-9-16(3)14(17)13-10-12(20(15,18)19)8-7-11(13)2/h4,7-8,10H,1,5-6,9H2,2-3H3,(H2,15,18,19)
InChIKeyZKDZKKAHEPJFHF-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.68
Rot. Bonds6

About N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide

N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide (PubChem CID 115640375) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide
PubChem CID115640375
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide
SMILESC=CCCCN(C)C(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C14H20N2O3S/c1-4-5-6-9-16(3)14(17)13-10-12(20(15,18)19)8-7-11(13)2/h4,7-8,10H,1,5-6,9H2,2-3H3,(H2,15,18,19)
InChIKeyZKDZKKAHEPJFHF-UHFFFAOYSA-N
XLogP1.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide
CID 115702280
N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 32895401
N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546841
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546886
5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640332
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24544465
2-bromo-5-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654962
2-pent-4-enoxy-5-sulfamoylbenzoic acid
CID 79114371
5-hydroxy-N-methyl-2-nitro-N-pent-4-enylbenzamide
CID 107076611
5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride
CID 120626191
2-amino-N-hept-6-enyl-N-methylbenzamide
CID 119945566
2-chloro-N-methyl-4-nitro-N-pent-4-enylbenzamide
CID 115640319

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide?
The IUPAC name of N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide (CID 115640375) is N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide.
What is the SMILES notation for N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide?
The canonical SMILES for N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide is C=CCCCN(C)C(=O)c1cc(S(N)(=O)=O)ccc1C.
What is the InChIKey of N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide?
The InChIKey is ZKDZKKAHEPJFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-5-6-9-16(3)14(17)13-10-12(20(15,18)19)8-7-11(13)2/h4,7-8,10H,1,5-6,9H2,2-3H3,(H2,15,18,19).
What are the key properties of N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide?
N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide has a molecular weight of 296.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide is sourced from PubChem (CID 115640375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).