N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide

C17H24N2O3S — CID 59409974

IUPACN-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide
SMILESCC/C=C\CC(=O)NCCSCCNC(=O)c1ccccc1O
InChIInChI=1S/C17H24N2O3S/c1-2-3-4-9-16(21)18-10-12-23-13-11-19-17(22)14-7-5-6-8-15(14)20/h3-8,20H,2,9-13H2,1H3,(H,18,21)(H,19,22)/b4-3-
InChIKeyOHHQGDGSCWGTTQ-ARJAWSKDSA-N
MW336.46 g/mol
LogP2.33
Rot. Bonds10

About N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide

N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide (PubChem CID 59409974) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide
PubChem CID59409974
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide
SMILESCC/C=C\CC(=O)NCCSCCNC(=O)c1ccccc1O
InChIInChI=1S/C17H24N2O3S/c1-2-3-4-9-16(21)18-10-12-23-13-11-19-17(22)14-7-5-6-8-15(14)20/h3-8,20H,2,9-13H2,1H3,(H,18,21)(H,19,22)/b4-3-
InChIKeyOHHQGDGSCWGTTQ-ARJAWSKDSA-N
XLogP2.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide
CID 71257077
2-hydroxy-N-[2-[[(9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoyl]amino]ethyl]benzamide
CID 127032160
N-[2-(2-aminoethoxy)ethyl]-2-hydroxybenzamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;yttrium
CID 157257399
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-hydroxybenzamide;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;(Z)-hex-3-enoic acid;N-[2-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethoxy]ethyl]-2-hydroxybenzamide;2-hydroxybenzoic acid;methane;molecular iodine;potassiopotassium
CID 160890082
N-[2-[(2-ethyl-2-octadeca-9,12,15-trienylsulfanylbutanoyl)amino]ethyl]-2-hydroxybenzamide
CID 71257043
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide
CID 108540071
2-hydroxy-N-[2-[2-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenoxy]butanoylamino]ethyl]benzamide
CID 67325861
2-[(2-hydroxybenzoyl)amino]ethyl 2-docosa-4,7,10,13,16,19-hexaenylsulfanyl-2-ethylbutanoate
CID 71256835
methyl 3-[1-[2-[[(Z)-hex-3-enoyl]amino]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-[(2-hydroxybenzoyl)amino]propanoate
CID 59409987

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide (CID 59409974) is N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide is CC/C=C\CC(=O)NCCSCCNC(=O)c1ccccc1O.
What is the InChIKey of N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide?
The InChIKey is OHHQGDGSCWGTTQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-3-4-9-16(21)18-10-12-23-13-11-19-17(22)14-7-5-6-8-15(14)20/h3-8,20H,2,9-13H2,1H3,(H,18,21)(H,19,22)/b4-3-.
What are the key properties of N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide?
N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide has a molecular weight of 336.46 g/mol, XLogP of 2.33, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 59409974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).