ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate

C20H25N3O6S2 — CID 43019007

IUPACethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)n1
InChIInChI=1S/C20H25N3O6S2/c1-4-28-18(24)9-16-12-30-20(21-16)22-19(25)15-6-5-7-17(8-15)31(26,27)23-10-13(2)29-14(3)11-23/h5-8,12-14H,4,9-11H2,1-3H3,(H,21,22,25)
InChIKeyKMILOEOWQMTHQM-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.30
Rot. Bonds7

About ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 43019007) has the molecular formula C20H25N3O6S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID43019007
Molecular FormulaC20H25N3O6S2
Molecular Weight467.57 g/mol
Exact Mass467.12
IUPAC Nameethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)n1
InChIInChI=1S/C20H25N3O6S2/c1-4-28-18(24)9-16-12-30-20(21-16)22-19(25)15-6-5-7-17(8-15)31(26,27)23-10-13(2)29-14(3)11-23/h5-8,12-14H,4,9-11H2,1-3H3,(H,21,22,25)
InChIKeyKMILOEOWQMTHQM-UHFFFAOYSA-N
XLogP2.30
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 41038012
(2-methyl-1,3-thiazol-4-yl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 4885543
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(azepan-1-ylsulfonyl)benzamide
CID 24584483
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2093055
3-(azepan-1-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680019
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)benzamide
CID 41039419
ethyl 2-[2-[[4-(3,5-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-6-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 86614384
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4800684
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
CID 35034712
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide
CID 25335294
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 43019007) is ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)n1.
What is the InChIKey of ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is KMILOEOWQMTHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S2/c1-4-28-18(24)9-16-12-30-20(21-16)22-19(25)15-6-5-7-17(8-15)31(26,27)23-10-13(2)29-14(3)11-23/h5-8,12-14H,4,9-11H2,1-3H3,(H,21,22,25).
What are the key properties of ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 467.57 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43019007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).