2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide

C14H19N3O3S — CID 116675707

IUPAC2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)C(C)=C2CNC2)cc1
InChIInChI=1S/C14H19N3O3S/c1-3-16-21(19,20)13-6-4-12(5-7-13)17-14(18)10(2)11-8-15-9-11/h4-7,15-16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyGPQOCHQPMAPXMC-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.84
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide

2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide (PubChem CID 116675707) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide
PubChem CID116675707
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)C(C)=C2CNC2)cc1
InChIInChI=1S/C14H19N3O3S/c1-3-16-21(19,20)13-6-4-12(5-7-13)17-14(18)10(2)11-8-15-9-11/h4-7,15-16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyGPQOCHQPMAPXMC-UHFFFAOYSA-N
XLogP0.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide
CID 116675629
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
CID 60941281
2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide
CID 116675099
2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 17070813
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 60852490
2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide
CID 116677354
(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 103795165
1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
CID 19680507
5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide (CID 116675707) is 2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide is CCNS(=O)(=O)c1ccc(NC(=O)C(C)=C2CNC2)cc1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide?
The InChIKey is GPQOCHQPMAPXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-16-21(19,20)13-6-4-12(5-7-13)17-14(18)10(2)11-8-15-9-11/h4-7,15-16H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide?
2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide has a molecular weight of 309.39 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 116675707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).