N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide

C14H23N3O3S — CID 119382998

IUPACN-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCN)c1
InChIInChI=1S/C14H23N3O3S/c1-4-17(5-2)21(19,20)12-7-6-11(3)13(10-12)14(18)16-9-8-15/h6-7,10H,4-5,8-9,15H2,1-3H3,(H,16,18)
InChIKeyUGICJIJDBVNAJX-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.71
Rot. Bonds7

About N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide

N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide (PubChem CID 119382998) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
PubChem CID119382998
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCN)c1
InChIInChI=1S/C14H23N3O3S/c1-4-17(5-2)21(19,20)12-7-6-11(3)13(10-12)14(18)16-9-8-15/h6-7,10H,4-5,8-9,15H2,1-3H3,(H,16,18)
InChIKeyUGICJIJDBVNAJX-UHFFFAOYSA-N
XLogP0.71
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide
CID 119384520
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide
CID 60566565
5-(diethylsulfamoyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731409
5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 26177992
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide (CID 119382998) is N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
The InChIKey is UGICJIJDBVNAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-17(5-2)21(19,20)12-7-6-11(3)13(10-12)14(18)16-9-8-15/h6-7,10H,4-5,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide?
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide has a molecular weight of 313.42 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 119382998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).