[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

C18H24N2O8S2 — CID 16527524

IUPAC[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCC1(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O8S2/c1-18(6-11-29(23,24)13-18)19-16(21)12-28-17(22)14-2-4-15(5-3-14)30(25,26)20-7-9-27-10-8-20/h2-5H,6-13H2,1H3,(H,19,21)
InChIKeyMQKYZWHSKZSDCW-UHFFFAOYSA-N
MW460.53 g/mol
LogP-0.44
Rot. Bonds6

About [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 16527524) has the molecular formula C18H24N2O8S2 and a molecular weight of 460.53 g/mol. Its IUPAC name is [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID16527524
Molecular FormulaC18H24N2O8S2
Molecular Weight460.53 g/mol
Exact Mass460.10
IUPAC Name[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCC1(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O8S2/c1-18(6-11-29(23,24)13-18)19-16(21)12-28-17(22)14-2-4-15(5-3-14)30(25,26)20-7-9-27-10-8-20/h2-5H,6-13H2,1H3,(H,19,21)
InChIKeyMQKYZWHSKZSDCW-UHFFFAOYSA-N
XLogP-0.44
TPSA136.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 31334214
[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 4843377
[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 16514934
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527536
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 8705256
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7569481
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513
[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 8705268
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 42970393
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527597
[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-methylbenzoate
CID 16527916
[2-oxo-2-(2-phenylethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 55314397

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 16527524) is [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is CC1(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCS(=O)(=O)C1.
What is the InChIKey of [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is MQKYZWHSKZSDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O8S2/c1-18(6-11-29(23,24)13-18)19-16(21)12-28-17(22)14-2-4-15(5-3-14)30(25,26)20-7-9-27-10-8-20/h2-5H,6-13H2,1H3,(H,19,21).
What are the key properties of [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 460.53 g/mol, XLogP of -0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16527524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).