N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide

C15H14N2O2S3 — CID 3895858

IUPACN-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCCn1c(-c2ccccc2)csc1=NS(=O)(=O)c1cccs1
InChIInChI=1S/C15H14N2O2S3/c1-2-17-13(12-7-4-3-5-8-12)11-21-15(17)16-22(18,19)14-9-6-10-20-14/h3-11H,2H2,1H3
InChIKeyBUUYEHIBGJTWCL-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.59
Rot. Bonds4

About N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide

N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 3895858) has the molecular formula C15H14N2O2S3 and a molecular weight of 350.49 g/mol. Its IUPAC name is N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
PubChem CID3895858
Molecular FormulaC15H14N2O2S3
Molecular Weight350.49 g/mol
Exact Mass350.02
IUPAC NameN-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
SMILESCCn1c(-c2ccccc2)csc1=NS(=O)(=O)c1cccs1
InChIInChI=1S/C15H14N2O2S3/c1-2-17-13(12-7-4-3-5-8-12)11-21-15(17)16-22(18,19)14-9-6-10-20-14/h3-11H,2H2,1H3
InChIKeyBUUYEHIBGJTWCL-UHFFFAOYSA-N
XLogP3.59
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
The IUPAC name of N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide (CID 3895858) is N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide is CCn1c(-c2ccccc2)csc1=NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
The InChIKey is BUUYEHIBGJTWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S3/c1-2-17-13(12-7-4-3-5-8-12)11-21-15(17)16-22(18,19)14-9-6-10-20-14/h3-11H,2H2,1H3.
What are the key properties of N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide?
N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 350.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 3895858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).