2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide

C25H40N2O3S — CID 71257077

IUPAC2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide
SMILESCCCCCCCC=CCCCCCSCC(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C25H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-31-21-24(29)26-18-19-27-25(30)22-16-13-14-17-23(22)28/h8-9,13-14,16-17,28H,2-7,10-12,15,18-21H2,1H3,(H,26,29)(H,27,30)
InChIKeyLCIDBPBVTOJXNE-UHFFFAOYSA-N
MW448.67 g/mol
LogP5.45
Rot. Bonds18

About 2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide

2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide (PubChem CID 71257077) has the molecular formula C25H40N2O3S and a molecular weight of 448.67 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide
PubChem CID71257077
Molecular FormulaC25H40N2O3S
Molecular Weight448.67 g/mol
Exact Mass448.28
IUPAC Name2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide
SMILESCCCCCCCC=CCCCCCSCC(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C25H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-31-21-24(29)26-18-19-27-25(30)22-16-13-14-17-23(22)28/h8-9,13-14,16-17,28H,2-7,10-12,15,18-21H2,1H3,(H,26,29)(H,27,30)
InChIKeyLCIDBPBVTOJXNE-UHFFFAOYSA-N
XLogP5.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.67
LogP ≤ 55.45
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-[[(9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoyl]amino]ethyl]benzamide
CID 127032160
N-[2-[(2-ethyl-2-octadeca-9,12,15-trienylsulfanylbutanoyl)amino]ethyl]-2-hydroxybenzamide
CID 71257043
N-butyl-2-octylsulfanylacetamide
CID 4583267
N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethylsulfanyl]ethyl]-2-hydroxybenzamide
CID 59409974
dodecyl-[3-[(2-hydroxybenzoyl)amino]propyl]-methylsulfanium bromide
CID 71441333
(Z)-1-(2-hydroxyphenyl)octadec-9-en-1-one
CID 174651259
N-octadec-9-enylbenzamide
CID 54554566
(E)-1-(2-hydroxyphenyl)dodec-2-en-1-one
CID 14840067
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
CID 111075603
2-hydroxy-N-(4-sulfanylhexadecyl)benzamide
CID 88819148
2-[(Z)-octadec-9-enyl]sulfanylacetic acid
CID 158077837
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide (CID 71257077) is 2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide is CCCCCCCC=CCCCCCSCC(=O)NCCNC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide?
The InChIKey is LCIDBPBVTOJXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-31-21-24(29)26-18-19-27-25(30)22-16-13-14-17-23(22)28/h8-9,13-14,16-17,28H,2-7,10-12,15,18-21H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide?
2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide has a molecular weight of 448.67 g/mol, XLogP of 5.45, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-[(2-tetradec-6-enylsulfanylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 71257077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).