[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate

C16H23N3O6S — CID 9330312

IUPAC[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C16H23N3O6S/c1-4-8-18-26(23,24)13-7-5-6-12(9-13)16(22)25-11-14(20)17-10-15(21)19(2)3/h5-7,9,18H,4,8,10-11H2,1-3H3,(H,17,20)
InChIKeyODJGOJIHUYOTGO-UHFFFAOYSA-N
MW385.44 g/mol
LogP-0.26
Rot. Bonds9

About [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate (PubChem CID 9330312) has the molecular formula C16H23N3O6S and a molecular weight of 385.44 g/mol. Its IUPAC name is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate
PubChem CID9330312
Molecular FormulaC16H23N3O6S
Molecular Weight385.44 g/mol
Exact Mass385.13
IUPAC Name[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C16H23N3O6S/c1-4-8-18-26(23,24)13-7-5-6-12(9-13)16(22)25-11-14(20)17-10-15(21)19(2)3/h5-7,9,18H,4,8,10-11H2,1-3H3,(H,17,20)
InChIKeyODJGOJIHUYOTGO-UHFFFAOYSA-N
XLogP-0.26
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(prop-2-ynylamino)ethyl] 3-(propylsulfamoyl)benzoate
CID 9330273
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 9081447
[2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7537038
[2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7537050
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(propylsulfamoyl)benzoate
CID 7537079
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7536992
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7536885
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7536863
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018443
3-(propylsulfamoyl)benzoic acid
CID 2442822
[2-(ethylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528487

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The IUPAC name of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate (CID 9330312) is [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate.
What is the SMILES notation for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The canonical SMILES for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate is CCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(=O)N(C)C)c1.
What is the InChIKey of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The InChIKey is ODJGOJIHUYOTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O6S/c1-4-8-18-26(23,24)13-7-5-6-12(9-13)16(22)25-11-14(20)17-10-15(21)19(2)3/h5-7,9,18H,4,8,10-11H2,1-3H3,(H,17,20).
What are the key properties of [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate has a molecular weight of 385.44 g/mol, XLogP of -0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate is sourced from PubChem (CID 9330312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).