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

C15H17N3O5S2 — CID 108802089

IUPACethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H17N3O5S2/c1-2-23-14(20)9-16-13(19)8-11-10-24-15(17-11)18-25(21,22)12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyMCQNCSKEMGJWPO-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.17
Rot. Bonds8

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

ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate (PubChem CID 108802089) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate
PubChem CID108802089
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Nameethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H17N3O5S2/c1-2-23-14(20)9-16-13(19)8-11-10-24-15(17-11)18-25(21,22)12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyMCQNCSKEMGJWPO-UHFFFAOYSA-N
XLogP1.17
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 11223125
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 108789115
ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
11-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]undecanoic acid
CID 108789111
ethyl 2-[2-[(4-cyanophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10269387
2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]butanedioic acid
CID 108789088
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108810942
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128
ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 61456143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate (CID 108802089) is ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The InChIKey is MCQNCSKEMGJWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-2-23-14(20)9-16-13(19)8-11-10-24-15(17-11)18-25(21,22)12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate?
ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate has a molecular weight of 383.45 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate is sourced from PubChem (CID 108802089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).