2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide

C21H26N2OS2 — CID 126714257

IUPAC2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide
SMILESC=C(NCCCCCCNC(=O)c1ccccc1S)c1ccccc1S
InChIInChI=1S/C21H26N2OS2/c1-16(17-10-4-6-12-19(17)25)22-14-8-2-3-9-15-23-21(24)18-11-5-7-13-20(18)26/h4-7,10-13,22,25-26H,1-3,8-9,14-15H2,(H,23,24)
InChIKeyJDCJKLAEEVOBHF-UHFFFAOYSA-N
MW386.59 g/mol
LogP4.81
Rot. Bonds10

About 2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide

2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide (PubChem CID 126714257) has the molecular formula C21H26N2OS2 and a molecular weight of 386.59 g/mol. Its IUPAC name is 2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide.

Molecular Properties

Compound Name2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide
PubChem CID126714257
Molecular FormulaC21H26N2OS2
Molecular Weight386.59 g/mol
Exact Mass386.15
IUPAC Name2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide
SMILESC=C(NCCCCCCNC(=O)c1ccccc1S)c1ccccc1S
InChIInChI=1S/C21H26N2OS2/c1-16(17-10-4-6-12-19(17)25)22-14-8-2-3-9-15-23-21(24)18-11-5-7-13-20(18)26/h4-7,10-13,22,25-26H,1-3,8-9,14-15H2,(H,23,24)
InChIKeyJDCJKLAEEVOBHF-UHFFFAOYSA-N
XLogP4.81
TPSA41.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxypentyl)-2-sulfanylbenzamide
CID 106137767
tert-butyl N-[4-[(2-sulfanylbenzoyl)amino]butyl]carbamate
CID 170912768
2-[1-[5-[[(3E,5Z)-6-amino-3-methylhexa-1,3,5-trien-2-yl]amino]pentylamino]ethenyl]benzenethiol
CID 126714253
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide
CID 19777006
N-[2-(3-methylbutanoylamino)ethyl]-2-sulfanylbenzamide
CID 108538517
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide
CID 108573441
3,4,5-trihydroxy-N-[2-[(2-sulfanylbenzoyl)amino]ethyl]benzamide
CID 108540134
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide
CID 108542258
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide?
The IUPAC name of 2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide (CID 126714257) is 2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide.
What is the SMILES notation for 2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide?
The canonical SMILES for 2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide is C=C(NCCCCCCNC(=O)c1ccccc1S)c1ccccc1S.
What is the InChIKey of 2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide?
The InChIKey is JDCJKLAEEVOBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS2/c1-16(17-10-4-6-12-19(17)25)22-14-8-2-3-9-15-23-21(24)18-11-5-7-13-20(18)26/h4-7,10-13,22,25-26H,1-3,8-9,14-15H2,(H,23,24).
What are the key properties of 2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide?
2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide has a molecular weight of 386.59 g/mol, XLogP of 4.81, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-[6-[1-(2-sulfanylphenyl)ethenylamino]hexyl]benzamide is sourced from PubChem (CID 126714257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).