ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate

C21H20N4O4S3 — CID 42285440

IUPACethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)n1
InChIInChI=1S/C21H20N4O4S3/c1-2-29-19(26)11-16-14-31-21(22-16)24-32(27,28)18-13-25(12-15-7-4-3-5-8-15)23-20(18)17-9-6-10-30-17/h3-10,13-14H,2,11-12H2,1H3,(H,22,24)
InChIKeyJNPZMGOKIAPTLY-UHFFFAOYSA-N
MW488.62 g/mol
LogP4.02
Rot. Bonds9

About ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 42285440) has the molecular formula C21H20N4O4S3 and a molecular weight of 488.62 g/mol. Its IUPAC name is ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID42285440
Molecular FormulaC21H20N4O4S3
Molecular Weight488.62 g/mol
Exact Mass488.06
IUPAC Nameethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)n1
InChIInChI=1S/C21H20N4O4S3/c1-2-29-19(26)11-16-14-31-21(22-16)24-32(27,28)18-13-25(12-15-7-4-3-5-8-15)23-20(18)17-9-6-10-30-17/h3-10,13-14H,2,11-12H2,1H3,(H,22,24)
InChIKeyJNPZMGOKIAPTLY-UHFFFAOYSA-N
XLogP4.02
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
1-benzyl-N-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285422
ethyl 4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate
CID 42351367
1-benzyl-N-(4-bromo-2-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285432
1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285448
ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 61456143
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-[[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 16602640
1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351775
ethyl 2-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10294454
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624509
ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 10199594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 42285440) is ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)n1.
What is the InChIKey of ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is JNPZMGOKIAPTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S3/c1-2-29-19(26)11-16-14-31-21(22-16)24-32(27,28)18-13-25(12-15-7-4-3-5-8-15)23-20(18)17-9-6-10-30-17/h3-10,13-14H,2,11-12H2,1H3,(H,22,24).
What are the key properties of ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 488.62 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 42285440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).