(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide

C17H21N3O3S2 — CID 8897988

IUPAC(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)/N=c2/sccn2C)cc1
InChIInChI=1S/C17H21N3O3S2/c1-4-20(5-2)25(22,23)15-9-6-14(7-10-15)8-11-16(21)18-17-19(3)12-13-24-17/h6-13H,4-5H2,1-3H3/b11-8+,18-17+
InChIKeyOHLHFGGCRCAPHC-CILLELMGSA-N
MW379.51 g/mol
LogP2.26
Rot. Bonds6

About (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide (PubChem CID 8897988) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
PubChem CID8897988
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)/N=c2/sccn2C)cc1
InChIInChI=1S/C17H21N3O3S2/c1-4-20(5-2)25(22,23)15-9-6-14(7-10-15)8-11-16(21)18-17-19(3)12-13-24-17/h6-13H,4-5H2,1-3H3/b11-8+,18-17+
InChIKeyOHLHFGGCRCAPHC-CILLELMGSA-N
XLogP2.26
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide (CID 8897988) is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)/N=c2/sccn2C)cc1.
What is the InChIKey of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The InChIKey is OHLHFGGCRCAPHC-CILLELMGSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-4-20(5-2)25(22,23)15-9-6-14(7-10-15)8-11-16(21)18-17-19(3)12-13-24-17/h6-13H,4-5H2,1-3H3/b11-8+,18-17+.
What are the key properties of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide has a molecular weight of 379.51 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide is sourced from PubChem (CID 8897988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).