3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide

C21H30N2O3S — CID 143631327

IUPAC3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide
SMILESC=C/C=C\C(=C/CC)CNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C21H30N2O3S/c1-6-10-12-18(11-7-2)16-22-21(24)19-14-13-17(5)20(15-19)27(25,26)23(8-3)9-4/h6,10-15H,1,7-9,16H2,2-5H3,(H,22,24)/b12-10-,18-11+
InChIKeyDVJWHLCVGAZESA-KPGOJGKGSA-N
MW390.55 g/mol
LogP3.83
Rot. Bonds10

About 3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide

3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide (PubChem CID 143631327) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide
PubChem CID143631327
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide
SMILESC=C/C=C\C(=C/CC)CNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C21H30N2O3S/c1-6-10-12-18(11-7-2)16-22-21(24)19-14-13-17(5)20(15-19)27(25,26)23(8-3)9-4/h6,10-15H,1,7-9,16H2,2-5H3,(H,22,24)/b12-10-,18-11+
InChIKeyDVJWHLCVGAZESA-KPGOJGKGSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-(diethylsulfamoyl)-4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396788
3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
CID 78784360
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate
CID 55609572
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide
CID 71864150
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide (CID 143631327) is 3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide is C=C/C=C\C(=C/CC)CNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide?
The InChIKey is DVJWHLCVGAZESA-KPGOJGKGSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-6-10-12-18(11-7-2)16-22-21(24)19-14-13-17(5)20(15-19)27(25,26)23(8-3)9-4/h6,10-15H,1,7-9,16H2,2-5H3,(H,22,24)/b12-10-,18-11+.
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide?
3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide has a molecular weight of 390.55 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]benzamide is sourced from PubChem (CID 143631327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).