ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate

C18H28N4O6S — CID 56557592

IUPACethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1
InChIInChI=1S/C18H28N4O6S/c1-4-28-18(24)20-8-7-19-17(23)15-13-14(29(25,26)21(2)3)5-6-16(15)22-9-11-27-12-10-22/h5-6,13H,4,7-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyYWKKAQSYXKQMMZ-UHFFFAOYSA-N
MW428.51 g/mol
LogP0.25
Rot. Bonds8

About ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate

ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate (PubChem CID 56557592) has the molecular formula C18H28N4O6S and a molecular weight of 428.51 g/mol. Its IUPAC name is ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
PubChem CID56557592
Molecular FormulaC18H28N4O6S
Molecular Weight428.51 g/mol
Exact Mass428.17
IUPAC Nameethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1
InChIInChI=1S/C18H28N4O6S/c1-4-28-18(24)20-8-7-19-17(23)15-13-14(29(25,26)21(2)3)5-6-16(15)22-9-11-27-12-10-22/h5-6,13H,4,7-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyYWKKAQSYXKQMMZ-UHFFFAOYSA-N
XLogP0.25
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
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
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55638218
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32587961
5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55669624
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
N-(2,3-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8714248

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate (CID 56557592) is ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1.
What is the InChIKey of ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate?
The InChIKey is YWKKAQSYXKQMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O6S/c1-4-28-18(24)20-8-7-19-17(23)15-13-14(29(25,26)21(2)3)5-6-16(15)22-9-11-27-12-10-22/h5-6,13H,4,7-12H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate?
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate has a molecular weight of 428.51 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate is sourced from PubChem (CID 56557592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).