(NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide

C15H16N2O3S3 — CID 16938080

IUPAC(NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
SMILESCCOCCn1/c(=N/S(=O)(=O)c2cccs2)sc2ccccc21
InChIInChI=1S/C15H16N2O3S3/c1-2-20-10-9-17-12-6-3-4-7-13(12)22-15(17)16-23(18,19)14-8-5-11-21-14/h3-8,11H,2,9-10H2,1H3/b16-15-
InChIKeyGYDLNRVZGFBZRK-NXVVXOECSA-N
MW368.51 g/mol
LogP3.09
Rot. Bonds6

About (NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide

(NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide (PubChem CID 16938080) has the molecular formula C15H16N2O3S3 and a molecular weight of 368.51 g/mol. Its IUPAC name is (NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
PubChem CID16938080
Molecular FormulaC15H16N2O3S3
Molecular Weight368.51 g/mol
Exact Mass368.03
IUPAC Name(NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
SMILESCCOCCn1/c(=N/S(=O)(=O)c2cccs2)sc2ccccc21
InChIInChI=1S/C15H16N2O3S3/c1-2-20-10-9-17-12-6-3-4-7-13(12)22-15(17)16-23(18,19)14-8-5-11-21-14/h3-8,11H,2,9-10H2,1H3/b16-15-
InChIKeyGYDLNRVZGFBZRK-NXVVXOECSA-N
XLogP3.09
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892562
ethyl 3-(2-ethoxyethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate
CID 40892379
ethyl (2Z)-3-(2-methoxyethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate
CID 16938065
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892489
(NZ)-4-chloro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937642
4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 40892178
(NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938019
(NZ)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937019
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide
CID 7523844
(NZ)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 16938057
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
CID 3511357
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892331

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide (CID 16938080) is (NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide is CCOCCn1/c(=N/S(=O)(=O)c2cccs2)sc2ccccc21.
What is the InChIKey of (NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide?
The InChIKey is GYDLNRVZGFBZRK-NXVVXOECSA-N. The full InChI is InChI=1S/C15H16N2O3S3/c1-2-20-10-9-17-12-6-3-4-7-13(12)22-15(17)16-23(18,19)14-8-5-11-21-14/h3-8,11H,2,9-10H2,1H3/b16-15-.
What are the key properties of (NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide?
(NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide has a molecular weight of 368.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 16938080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).