N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride

C17H29ClN4O4S — CID 119383889

IUPACN-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCN)c1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-3-21(4-2)26(23,24)14-5-6-16(20-9-11-25-12-10-20)15(13-14)17(22)19-8-7-18;/h5-6,13H,3-4,7-12,18H2,1-2H3,(H,19,22);1H
InChIKeyFPVWOWAKHAOTGK-UHFFFAOYSA-N
MW420.96 g/mol
LogP0.66
Rot. Bonds8

About N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride

N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride (PubChem CID 119383889) has the molecular formula C17H29ClN4O4S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
PubChem CID119383889
Molecular FormulaC17H29ClN4O4S
Molecular Weight420.96 g/mol
Exact Mass420.16
IUPAC NameN-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCN)c1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-3-21(4-2)26(23,24)14-5-6-16(20-9-11-25-12-10-20)15(13-14)17(22)19-8-7-18;/h5-6,13H,3-4,7-12,18H2,1-2H3,(H,19,22);1H
InChIKeyFPVWOWAKHAOTGK-UHFFFAOYSA-N
XLogP0.66
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
5-(diethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 119505891
5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide
CID 55669464
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-morpholin-4-ylbenzamide
CID 55990599
5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide
CID 55591057
N-cyclohexyl-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 30929978

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride (CID 119383889) is N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCN)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride?
The InChIKey is FPVWOWAKHAOTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S.ClH/c1-3-21(4-2)26(23,24)14-5-6-16(20-9-11-25-12-10-20)15(13-14)17(22)19-8-7-18;/h5-6,13H,3-4,7-12,18H2,1-2H3,(H,19,22);1H.
What are the key properties of N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride?
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride has a molecular weight of 420.96 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119383889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).