(NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide

C16H14N2O2S3 — CID 6041804

IUPAC(NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
SMILESC=CCn1c(-c2ccccc2)cs/c1=N/S(=O)(=O)c1cccs1
InChIInChI=1S/C16H14N2O2S3/c1-2-10-18-14(13-7-4-3-5-8-13)12-22-16(18)17-23(19,20)15-9-6-11-21-15/h2-9,11-12H,1,10H2/b17-16+
InChIKeyOUBKSPGNABKSNK-WUKNDPDISA-N
MW362.50 g/mol
LogP3.75
Rot. Bonds5

About (NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide

(NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 6041804) has the molecular formula C16H14N2O2S3 and a molecular weight of 362.50 g/mol. Its IUPAC name is (NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
PubChem CID6041804
Molecular FormulaC16H14N2O2S3
Molecular Weight362.50 g/mol
Exact Mass362.02
IUPAC Name(NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
SMILESC=CCn1c(-c2ccccc2)cs/c1=N/S(=O)(=O)c1cccs1
InChIInChI=1S/C16H14N2O2S3/c1-2-10-18-14(13-7-4-3-5-8-13)12-22-16(18)17-23(19,20)15-9-6-11-21-15/h2-9,11-12H,1,10H2/b17-16+
InChIKeyOUBKSPGNABKSNK-WUKNDPDISA-N
XLogP3.75
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
CID 3258814
(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
CID 69206071
4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 9498727
4-phenyl-N-(4-phenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125396
N-[4-(4-bromophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-fluorobenzenesulfonamide
CID 3629431
1-phenyl-3-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]urea
CID 5190245
N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892427
N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892487
(NZ)-N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938186
N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892434
(NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 16938177
4-phenyl-3-prop-2-enyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
CID 5167345

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of (NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide (CID 6041804) is (NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for (NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for (NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide is C=CCn1c(-c2ccccc2)cs/c1=N/S(=O)(=O)c1cccs1.
What is the InChIKey of (NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is OUBKSPGNABKSNK-WUKNDPDISA-N. The full InChI is InChI=1S/C16H14N2O2S3/c1-2-10-18-14(13-7-4-3-5-8-13)12-22-16(18)17-23(19,20)15-9-6-11-21-15/h2-9,11-12H,1,10H2/b17-16+.
What are the key properties of (NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
(NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 362.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 6041804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).