5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride

C17H29ClN4O4S — CID 119505395

IUPAC5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-4-18-7-8-19-17(22)15-13-14(26(23,24)20(2)3)5-6-16(15)21-9-11-25-12-10-21;/h5-6,13,18H,4,7-12H2,1-3H3,(H,19,22);1H
InChIKeyKZAWWUASYYYGNT-UHFFFAOYSA-N
MW420.96 g/mol
LogP0.53
Rot. Bonds8

About 5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride

5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride (PubChem CID 119505395) has the molecular formula C17H29ClN4O4S and a molecular weight of 420.96 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
PubChem CID119505395
Molecular FormulaC17H29ClN4O4S
Molecular Weight420.96 g/mol
Exact Mass420.16
IUPAC Name5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-4-18-7-8-19-17(22)15-13-14(26(23,24)20(2)3)5-6-16(15)21-9-11-25-12-10-21;/h5-6,13,18H,4,7-12H2,1-3H3,(H,19,22);1H
InChIKeyKZAWWUASYYYGNT-UHFFFAOYSA-N
XLogP0.53
TPSA90.98 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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
5-(diethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 119505891
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55582883
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32587961
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 16625939
N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55669437
5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55638218
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 42908422

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride (CID 119505395) is 5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride is CCNCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1.Cl.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride?
The InChIKey is KZAWWUASYYYGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S.ClH/c1-4-18-7-8-19-17(22)15-13-14(26(23,24)20(2)3)5-6-16(15)21-9-11-25-12-10-21;/h5-6,13,18H,4,7-12H2,1-3H3,(H,19,22);1H.
What are the key properties of 5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride?
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride has a molecular weight of 420.96 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119505395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).