2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate

C20H17N3O5S3 — CID 34295762

IUPAC2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc1
InChIInChI=1S/C20H17N3O5S3/c21-31(25,26)15-8-6-14(7-9-15)27-10-11-28-19(24)17-12-16-18(29-17)23-20(30-16)22-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)(H2,21,25,26)
InChIKeyKSJGHQWHUDVURC-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.98
Rot. Bonds8

About 2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate

2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 34295762) has the molecular formula C20H17N3O5S3 and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID34295762
Molecular FormulaC20H17N3O5S3
Molecular Weight475.57 g/mol
Exact Mass475.03
IUPAC Name2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc1
InChIInChI=1S/C20H17N3O5S3/c21-31(25,26)15-8-6-14(7-9-15)27-10-11-28-19(24)17-12-16-18(29-17)23-20(30-16)22-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)(H2,21,25,26)
InChIKeyKSJGHQWHUDVURC-UHFFFAOYSA-N
XLogP3.98
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 42925867
2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 40661255
N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119585103
2-pyridin-3-yloxyethyl 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 86974886
2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate
CID 8568254
2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 46608934
2-(4-sulfamoylphenoxy)ethyl 4-(1,3-benzothiazol-2-yl)butanoate
CID 34389309
2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 17489929
2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136
[2-(aminomethyl)pyrrolidin-1-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride
CID 119634519
2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
CID 34125400
3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
CID 4954916

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate (CID 34295762) is 2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate is NS(=O)(=O)c1ccc(OCCOC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is KSJGHQWHUDVURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S3/c21-31(25,26)15-8-6-14(7-9-15)27-10-11-28-19(24)17-12-16-18(29-17)23-20(30-16)22-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)(H2,21,25,26).
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 475.57 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 34295762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).