N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide

C14H20N2O3S — CID 51161787

IUPACN,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C14H20N2O3S/c1-4-10-15-20(18,19)13-9-7-8-12(11-13)14(17)16(5-2)6-3/h4,7-9,11,15H,1,5-6,10H2,2-3H3
InChIKeyKAEKJLAQZRXHBG-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.63
Rot. Bonds7

About N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide

N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 51161787) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID51161787
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C14H20N2O3S/c1-4-10-15-20(18,19)13-9-7-8-12(11-13)14(17)16(5-2)6-3/h4,7-9,11,15H,1,5-6,10H2,2-3H3
InChIKeyKAEKJLAQZRXHBG-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-[3-(prop-2-enylsulfamoyl)benzoyl]amino]propanoic acid
CID 119191062
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 31542031
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 119652458
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119657347
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 8966476

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide (CID 51161787) is N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is KAEKJLAQZRXHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-10-15-20(18,19)13-9-7-8-12(11-13)14(17)16(5-2)6-3/h4,7-9,11,15H,1,5-6,10H2,2-3H3.
What are the key properties of N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide?
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 296.39 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 51161787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).