ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate

C19H23N3O6S2 — CID 2334564

IUPACethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C19H23N3O6S2/c1-3-28-17(23)11-15-12-29-19(20-15)21-18(24)14-5-4-13(2)16(10-14)30(25,26)22-6-8-27-9-7-22/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,20,21,24)
InChIKeyZOEWYPFQVLVATC-UHFFFAOYSA-N
MW453.54 g/mol
LogP1.83
Rot. Bonds7

About ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 2334564) has the molecular formula C19H23N3O6S2 and a molecular weight of 453.54 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID2334564
Molecular FormulaC19H23N3O6S2
Molecular Weight453.54 g/mol
Exact Mass453.10
IUPAC Nameethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C19H23N3O6S2/c1-3-28-17(23)11-15-12-29-19(20-15)21-18(24)14-5-4-13(2)16(10-14)30(25,26)22-6-8-27-9-7-22/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,20,21,24)
InChIKeyZOEWYPFQVLVATC-UHFFFAOYSA-N
XLogP1.83
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 4050918
Ethyl (2-{[(4-methylphenyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 702014
Ethyl 2-[4-(pyrrolidine-1-sulfonyl)benzamido]-1,3-thiazole-4-carboxylate
CID 1185427
Ethyl 2-(2-(3-(4-methylbenzoyl)thioureido)thiazol-4-yl)acetate
CID 1330547
Ethyl 2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2332698
Ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 2361864
ethyl 2-(2-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamido)thiazol-4-yl)acetate
CID 2972885
Ethyl 2-[2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 2998262
3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1102157
methyl 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-1,1,4-trioxo-2H-1lambda6,3-benzothiazin-2-yl]acetate
CID 141743297
N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2094935
3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2366034

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 2334564) is ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1.
What is the InChIKey of ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZOEWYPFQVLVATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S2/c1-3-28-17(23)11-15-12-29-19(20-15)21-18(24)14-5-4-13(2)16(10-14)30(25,26)22-6-8-27-9-7-22/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,20,21,24).
What are the key properties of ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 453.54 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2334564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).