ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

C23H21N3O5S2 — CID 16935480

IUPACethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)n1
InChIInChI=1S/C23H21N3O5S2/c1-2-31-22(28)12-16-15-32-23(24-16)25-21(27)14-26-13-20(18-10-6-7-11-19(18)26)33(29,30)17-8-4-3-5-9-17/h3-11,13,15H,2,12,14H2,1H3,(H,24,25,27)
InChIKeyQIJKUTMDAMNYDY-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.67
Rot. Bonds8

About ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 16935480) has the molecular formula C23H21N3O5S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID16935480
Molecular FormulaC23H21N3O5S2
Molecular Weight483.57 g/mol
Exact Mass483.09
IUPAC Nameethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)n1
InChIInChI=1S/C23H21N3O5S2/c1-2-31-22(28)12-16-15-32-23(24-16)25-21(27)14-26-13-20(18-10-6-7-11-19(18)26)33(29,30)17-8-4-3-5-9-17/h3-11,13,15H,2,12,14H2,1H3,(H,24,25,27)
InChIKeyQIJKUTMDAMNYDY-UHFFFAOYSA-N
XLogP3.67
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[2-[[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 30559954
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16935690
ethyl 2-[2-[[2-(2-formylpyrrol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 39149039
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-[[2-(4-aminophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110451962
ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110535347
ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 84571978
ethyl 2-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376514
ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 51185483
ethyl 2-[2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 22198118
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 16935480) is ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)n1.
What is the InChIKey of ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QIJKUTMDAMNYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S2/c1-2-31-22(28)12-16-15-32-23(24-16)25-21(27)14-26-13-20(18-10-6-7-11-19(18)26)33(29,30)17-8-4-3-5-9-17/h3-11,13,15H,2,12,14H2,1H3,(H,24,25,27).
What are the key properties of ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 483.57 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[3-(benzenesulfonyl)indol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 16935480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).