[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate

C18H25N3O7S — CID 3646938

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C18H25N3O7S/c1-4-19-18(24)20-16(22)13(3)28-17(23)15-11-14(6-5-12(15)2)29(25,26)21-7-9-27-10-8-21/h5-6,11,13H,4,7-10H2,1-3H3,(H2,19,20,22,24)
InChIKeyHTUOMVRDJCXOFA-UHFFFAOYSA-N
MW427.48 g/mol
LogP0.41
Rot. Bonds6

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 3646938) has the molecular formula C18H25N3O7S and a molecular weight of 427.48 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
PubChem CID3646938
Molecular FormulaC18H25N3O7S
Molecular Weight427.48 g/mol
Exact Mass427.14
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C18H25N3O7S/c1-4-19-18(24)20-16(22)13(3)28-17(23)15-11-14(6-5-12(15)2)29(25,26)21-7-9-27-10-8-21/h5-6,11,13H,4,7-10H2,1-3H3,(H2,19,20,22,24)
InChIKeyHTUOMVRDJCXOFA-UHFFFAOYSA-N
XLogP0.41
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528820
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 5012699
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528817
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 40613858
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 55316125
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528832
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
CID 8991866
(2-methoxy-2-oxoethyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16568663
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide
CID 26861417
[(2S)-1-anilino-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2573922
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2573802
(2R)-N-(ethylcarbamoyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
CID 40931327

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate (CID 3646938) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate is CCNC(=O)NC(=O)C(C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is HTUOMVRDJCXOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O7S/c1-4-19-18(24)20-16(22)13(3)28-17(23)15-11-14(6-5-12(15)2)29(25,26)21-7-9-27-10-8-21/h5-6,11,13H,4,7-10H2,1-3H3,(H2,19,20,22,24).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 427.48 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 3646938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).