[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate

C22H21N3O6S2 — CID 23931904

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H21N3O6S2/c26-20(24-22-23-19(15-32-22)16-5-2-1-3-6-16)14-31-21(27)17-7-4-8-18(13-17)33(28,29)25-9-11-30-12-10-25/h1-8,13,15H,9-12,14H2,(H,23,24,26)
InChIKeyATONUJQFVQLAOK-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.63
Rot. Bonds7

About [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 23931904) has the molecular formula C22H21N3O6S2 and a molecular weight of 487.56 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate
PubChem CID23931904
Molecular FormulaC22H21N3O6S2
Molecular Weight487.56 g/mol
Exact Mass487.09
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H21N3O6S2/c26-20(24-22-23-19(15-32-22)16-5-2-1-3-6-16)14-31-21(27)17-7-4-8-18(13-17)33(28,29)25-9-11-30-12-10-25/h1-8,13,15H,9-12,14H2,(H,23,24,26)
InChIKeyATONUJQFVQLAOK-UHFFFAOYSA-N
XLogP2.63
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 23965692
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 5083210
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 23769072
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate
CID 2361840
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4852314
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521625
3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 5114730
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605012
[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313533
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521663
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 23931447

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate (CID 23931904) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is ATONUJQFVQLAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S2/c26-20(24-22-23-19(15-32-22)16-5-2-1-3-6-16)14-31-21(27)17-7-4-8-18(13-17)33(28,29)25-9-11-30-12-10-25/h1-8,13,15H,9-12,14H2,(H,23,24,26).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 487.56 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 23931904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).