[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C17H23N3O6S — CID 3353616

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H23N3O6S/c1-12-6-8-14(9-7-12)27(24,25)18-10-16(22)26-11-15(21)20-17(23)19-13-4-2-3-5-13/h6-9,13,18H,2-5,10-11H2,1H3,(H2,19,20,21,23)
InChIKeyFKEYUOJLMDDZBU-UHFFFAOYSA-N
MW397.45 g/mol
LogP0.58
Rot. Bonds7

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 3353616) has the molecular formula C17H23N3O6S and a molecular weight of 397.45 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID3353616
Molecular FormulaC17H23N3O6S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H23N3O6S/c1-12-6-8-14(9-7-12)27(24,25)18-10-16(22)26-11-15(21)20-17(23)19-13-4-2-3-5-13/h6-9,13,18H,2-5,10-11H2,1H3,(H2,19,20,21,23)
InChIKeyFKEYUOJLMDDZBU-UHFFFAOYSA-N
XLogP0.58
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 16246186
16-(Toluene-4-sulfonyl)-1,7,13-trioxa-4,10,16-triaza-cyclooctadecane-3,11-dione
CID 654766
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 2427868
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate
CID 3951571
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 4009574
(S)-2-[3-(4-Sulfamoyl-benzyl)-ureido]-propionic acid methyl ester
CID 2000674
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2394606
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2645852
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4117638
2-[(Cyclohexanecarbonyl)amino]-2-oxoethyl N-(4-methylbenzene-1-sulfonyl)-L-valinate
CID 16242555
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 3906998
[1-(Ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate
CID 4329588

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 3353616) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is FKEYUOJLMDDZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S/c1-12-6-8-14(9-7-12)27(24,25)18-10-16(22)26-11-15(21)20-17(23)19-13-4-2-3-5-13/h6-9,13,18H,2-5,10-11H2,1H3,(H2,19,20,21,23).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 397.45 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 3353616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).