[1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate

C15H19N3O7S — CID 5029148

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC(N)=O
InChIInChI=1S/C15H19N3O7S/c1-10(13(19)17-15(16)21)25-14(20)11-3-2-4-12(9-11)26(22,23)18-5-7-24-8-6-18/h2-4,9-10H,5-8H2,1H3,(H3,16,17,19,21)
InChIKeyTYXADCFWESECKB-UHFFFAOYSA-N
MW385.40 g/mol
LogP-0.55
Rot. Bonds5

About [1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate

[1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 5029148) has the molecular formula C15H19N3O7S and a molecular weight of 385.40 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
PubChem CID5029148
Molecular FormulaC15H19N3O7S
Molecular Weight385.40 g/mol
Exact Mass385.09
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC(N)=O
InChIInChI=1S/C15H19N3O7S/c1-10(13(19)17-15(16)21)25-14(20)11-3-2-4-12(9-11)26(22,23)18-5-7-24-8-6-18/h2-4,9-10H,5-8H2,1H3,(H3,16,17,19,21)
InChIKeyTYXADCFWESECKB-UHFFFAOYSA-N
XLogP-0.55
TPSA145.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
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[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
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[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
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[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
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1-O-methyl 4-O-[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] benzene-1,4-dicarboxylate
CID 42985084
[(2S)-1-amino-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate
CID 2511102
[(2S)-1-methoxy-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate
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Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate (CID 5029148) is [1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate is CC(OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is TYXADCFWESECKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O7S/c1-10(13(19)17-15(16)21)25-14(20)11-3-2-4-12(9-11)26(22,23)18-5-7-24-8-6-18/h2-4,9-10H,5-8H2,1H3,(H3,16,17,19,21).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 385.40 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 5029148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).