N,N-diethyl-4-(propylsulfonylamino)benzamide

C14H22N2O3S — CID 60640578

IUPACN,N-diethyl-4-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-11-20(18,19)15-13-9-7-12(8-10-13)14(17)16(5-2)6-3/h7-10,15H,4-6,11H2,1-3H3
InChIKeyPJNKJZKGOSXJKV-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.32
Rot. Bonds7

About N,N-diethyl-4-(propylsulfonylamino)benzamide

N,N-diethyl-4-(propylsulfonylamino)benzamide (PubChem CID 60640578) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N,N-diethyl-4-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(propylsulfonylamino)benzamide
PubChem CID60640578
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN,N-diethyl-4-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-11-20(18,19)15-13-9-7-12(8-10-13)14(17)16(5-2)6-3/h7-10,15H,4-6,11H2,1-3H3
InChIKeyPJNKJZKGOSXJKV-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 35825214
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119654023
N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide
CID 113436723
N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide
CID 43339119
3-[ethyl-[4-(methanesulfonamido)benzoyl]amino]propanoic acid
CID 61008573
N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide
CID 43161175
N,N-diethyl-4-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 4786362
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
N-[3-(methylamino)propyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119431070
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405
3-[[4-(diethylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516649
N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(propylsulfonylamino)benzamide?
The IUPAC name of N,N-diethyl-4-(propylsulfonylamino)benzamide (CID 60640578) is N,N-diethyl-4-(propylsulfonylamino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(propylsulfonylamino)benzamide?
The canonical SMILES for N,N-diethyl-4-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(C(=O)N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-4-(propylsulfonylamino)benzamide?
The InChIKey is PJNKJZKGOSXJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-11-20(18,19)15-13-9-7-12(8-10-13)14(17)16(5-2)6-3/h7-10,15H,4-6,11H2,1-3H3.
What are the key properties of N,N-diethyl-4-(propylsulfonylamino)benzamide?
N,N-diethyl-4-(propylsulfonylamino)benzamide has a molecular weight of 298.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(propylsulfonylamino)benzamide is sourced from PubChem (CID 60640578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).