N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide

C14H18N2O3S — CID 60668579

IUPACN-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H18N2O3S/c1-3-4-5-9-14(17)16-11(2)12-7-6-8-13(10-12)20(15,18)19/h3-11H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyPFFKMDSSAREJEL-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.64
Rot. Bonds5

About N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide

N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide (PubChem CID 60668579) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound NameN-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
PubChem CID60668579
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H18N2O3S/c1-3-4-5-9-14(17)16-11(2)12-7-6-8-13(10-12)20(15,18)19/h3-11H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyPFFKMDSSAREJEL-UHFFFAOYSA-N
XLogP1.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 95333326
N-(3-sulfamoylphenyl)hexa-2,4-dienamide
CID 60635779
2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 103839225
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593537
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide?
The IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide (CID 60668579) is N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide?
The canonical SMILES for N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide is CC=CC=CC(=O)NC(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide?
The InChIKey is PFFKMDSSAREJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-4-5-9-14(17)16-11(2)12-7-6-8-13(10-12)20(15,18)19/h3-11H,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide?
N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide has a molecular weight of 294.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 60668579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).