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

C22H21N3O6S2 — CID 2404140

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H21N3O6S2/c26-20(24-22-23-19(15-32-22)16-4-2-1-3-5-16)14-31-21(27)17-6-8-18(9-7-17)33(28,29)25-10-12-30-13-11-25/h1-9,15H,10-14H2,(H,23,24,26)
InChIKeyPIINYFIBEOHSPR-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.63
Rot. Bonds7

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

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 2404140) 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] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID2404140
Molecular FormulaC22H21N3O6S2
Molecular Weight487.56 g/mol
Exact Mass487.09
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H21N3O6S2/c26-20(24-22-23-19(15-32-22)16-4-2-1-3-5-16)14-31-21(27)17-6-8-18(9-7-17)33(28,29)25-10-12-30-13-11-25/h1-9,15H,10-14H2,(H,23,24,26)
InChIKeyPIINYFIBEOHSPR-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

4-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 980159
N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-phenoxyacetamide
CID 658973
2-Methoxy-N-{4-[4-(morpholine-4-sulfonyl)-phenyl]-thiazol-2-yl}-benzamide
CID 979629
3-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1290059
3-ethoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1303721
Ethyl 2-[4-(pyrrolidine-1-sulfonyl)benzamido]-1,3-thiazole-4-carboxylate
CID 1185427
[2-[[4-(2-Chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 2388559
Ethyl 4-phenyl-2-(4-(piperidin-1-ylsulfonyl)benzamido)thiazole-5-carboxylate
CID 3321091
Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4-phenylthiazole-5-carboxylate
CID 4100897
Methyl 4-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate
CID 5130063
Ethyl 2-[4-(diethylsulfamoyl)benzamido]-1,3-thiazole-4-carboxylate
CID 2335480
[2-Oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
CID 2379341

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 2404140) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is PIINYFIBEOHSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S2/c26-20(24-22-23-19(15-32-22)16-4-2-1-3-5-16)14-31-21(27)17-6-8-18(9-7-17)33(28,29)25-10-12-30-13-11-25/h1-9,15H,10-14H2,(H,23,24,26).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-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] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2404140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).