[(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

C17H22N2O7S — CID 7168813

IUPAC[(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)O[C@H]2CCOC2=O)cc1
InChIInChI=1S/C17H22N2O7S/c1-3-19(4-2)27(23,24)13-7-5-12(6-8-13)16(21)18-11-15(20)26-14-9-10-25-17(14)22/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyAWWXGQVYBHMSCI-AWEZNQCLSA-N
MW398.44 g/mol
LogP0.31
Rot. Bonds8

About [(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

[(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 7168813) has the molecular formula C17H22N2O7S and a molecular weight of 398.44 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
PubChem CID7168813
Molecular FormulaC17H22N2O7S
Molecular Weight398.44 g/mol
Exact Mass398.11
IUPAC Name[(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)O[C@H]2CCOC2=O)cc1
InChIInChI=1S/C17H22N2O7S/c1-3-19(4-2)27(23,24)13-7-5-12(6-8-13)16(21)18-11-15(20)26-14-9-10-25-17(14)22/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyAWWXGQVYBHMSCI-AWEZNQCLSA-N
XLogP0.31
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate with MolForge

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Related Compounds

N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424
N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide
CID 31737121
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356749
4-(diethylsulfamoyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110429162
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923
4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512422
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304152
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 42964227
4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 56724224
[(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate
CID 51928625
4-[[[4-(diethylsulfamoyl)benzoyl]-(1,1-dioxothiolan-3-yl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 44724180
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304134

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (CID 7168813) is [(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)O[C@H]2CCOC2=O)cc1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is AWWXGQVYBHMSCI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O7S/c1-3-19(4-2)27(23,24)13-7-5-12(6-8-13)16(21)18-11-15(20)26-14-9-10-25-17(14)22/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
[(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 398.44 g/mol, XLogP of 0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 7168813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).