N-butyl-N-ethyl-4-(methanesulfonamido)benzamide

C14H22N2O3S — CID 35825214

IUPACN-butyl-N-ethyl-4-(methanesulfonamido)benzamide
SMILESCCCCN(CC)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-6-11-16(5-2)14(17)12-7-9-13(10-8-12)15-20(3,18)19/h7-10,15H,4-6,11H2,1-3H3
InChIKeyNAPYJAOHSSSWLJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.32
Rot. Bonds7

About N-butyl-N-ethyl-4-(methanesulfonamido)benzamide

N-butyl-N-ethyl-4-(methanesulfonamido)benzamide (PubChem CID 35825214) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-(methanesulfonamido)benzamide
PubChem CID35825214
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-butyl-N-ethyl-4-(methanesulfonamido)benzamide
SMILESCCCCN(CC)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-6-11-16(5-2)14(17)12-7-9-13(10-8-12)15-20(3,18)19/h7-10,15H,4-6,11H2,1-3H3
InChIKeyNAPYJAOHSSSWLJ-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

3-[ethyl-[4-(methanesulfonamido)benzoyl]amino]propanoic acid
CID 61008573
N,N-diethyl-4-(propylsulfonylamino)benzamide
CID 60640578
1-butyl-3-[4-(methanesulfonamido)phenyl]-1-methylurea
CID 108875324
N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide
CID 17480974
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 61038554
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
4-(dibutylcarbamoyl)benzenesulfonyl chloride
CID 43125989
N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide
CID 114246123
N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 43573520
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-(methanesulfonamido)benzamide?
The IUPAC name of N-butyl-N-ethyl-4-(methanesulfonamido)benzamide (CID 35825214) is N-butyl-N-ethyl-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-butyl-N-ethyl-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-butyl-N-ethyl-4-(methanesulfonamido)benzamide is CCCCN(CC)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-butyl-N-ethyl-4-(methanesulfonamido)benzamide?
The InChIKey is NAPYJAOHSSSWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-6-11-16(5-2)14(17)12-7-9-13(10-8-12)15-20(3,18)19/h7-10,15H,4-6,11H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-4-(methanesulfonamido)benzamide?
N-butyl-N-ethyl-4-(methanesulfonamido)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-butyl-N-ethyl-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 35825214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).