[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

C14H17N3O7S — CID 16521625

IUPAC[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H17N3O7S/c15-14(20)16-12(18)9-24-13(19)10-2-1-3-11(8-10)25(21,22)17-4-6-23-7-5-17/h1-3,8H,4-7,9H2,(H3,15,16,18,20)
InChIKeyHSXHWZKKOLQDNY-UHFFFAOYSA-N
MW371.37 g/mol
LogP-0.94
Rot. Bonds5

About [2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 16521625) has the molecular formula C14H17N3O7S and a molecular weight of 371.37 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
PubChem CID16521625
Molecular FormulaC14H17N3O7S
Molecular Weight371.37 g/mol
Exact Mass371.08
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H17N3O7S/c15-14(20)16-12(18)9-24-13(19)10-2-1-3-11(8-10)25(21,22)17-4-6-23-7-5-17/h1-3,8H,4-7,9H2,(H3,15,16,18,20)
InChIKeyHSXHWZKKOLQDNY-UHFFFAOYSA-N
XLogP-0.94
TPSA145.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699376
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313560
[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313533
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
[2-(azepan-1-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521666
[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 25044862
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
[2-(carbamoylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4218282
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313549
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 5029148
[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699367
[2-(3-fluorophenyl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 8666849

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (CID 16521625) is [2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is HSXHWZKKOLQDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O7S/c15-14(20)16-12(18)9-24-13(19)10-2-1-3-11(8-10)25(21,22)17-4-6-23-7-5-17/h1-3,8H,4-7,9H2,(H3,15,16,18,20).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 371.37 g/mol, XLogP of -0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16521625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).