N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide

C24H37N3O6S — CID 126483539

IUPACN'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H37N3O6S/c1-25-23(29)24(30)26-18-14-9-7-5-3-2-4-6-8-10-15-19-33-20-22(28)27-34(31,32)21-16-12-11-13-17-21/h3,5,11-13,16-17H,2,4,6-10,14-15,18-20H2,1H3,(H,25,29)(H,26,30)(H,27,28)/b5-3-
InChIKeyMISWWNKZRUMUKF-HYXAFXHYSA-N
MW495.64 g/mol
LogP2.44
Rot. Bonds17

About N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide

N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide (PubChem CID 126483539) has the molecular formula C24H37N3O6S and a molecular weight of 495.64 g/mol. Its IUPAC name is N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide
PubChem CID126483539
Molecular FormulaC24H37N3O6S
Molecular Weight495.64 g/mol
Exact Mass495.24
IUPAC NameN'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H37N3O6S/c1-25-23(29)24(30)26-18-14-9-7-5-3-2-4-6-8-10-15-19-33-20-22(28)27-34(31,32)21-16-12-11-13-17-21/h3,5,11-13,16-17H,2,4,6-10,14-15,18-20H2,1H3,(H,25,29)(H,26,30)(H,27,28)/b5-3-
InChIKeyMISWWNKZRUMUKF-HYXAFXHYSA-N
XLogP2.44
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-13-(2-anilino-2-oxoethoxy)tridec-5-enyl]-N-methyloxamide
CID 126483519
N'-[(Z)-16-(benzenesulfonamido)-16-hydroxyhexadec-5-enyl]-N-methyloxamide
CID 138613777
N'-[(Z)-13-[[hydroxy(oxido)amino]methoxy]tridec-5-enyl]-N-methyloxamide
CID 163891057
(Z)-15-[[2-(methylamino)-2-oxoacetyl]amino]pentadec-10-ene-1-sulfonic acid
CID 118256706
ethyl 2-hept-6-enoxyacetate;ethyl 2-[(Z)-13-[[2-(methylamino)-2-oxoacetyl]amino]tridec-8-enoxy]acetate
CID 163892701
1-[11-(benzenesulfonamido)undec-5-enyl]-3-pentylurea
CID 77140945
N-methyl-N'-(16-oxoheptadec-5-enyl)oxamide
CID 91456629
N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
CID 90425402
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
[(Z)-octadec-9-enyl] benzenesulfonate
CID 87391110
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide
CID 126483551

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide?
The IUPAC name of N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide (CID 126483539) is N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide.
What is the SMILES notation for N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide?
The canonical SMILES for N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide is CNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCC(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide?
The InChIKey is MISWWNKZRUMUKF-HYXAFXHYSA-N. The full InChI is InChI=1S/C24H37N3O6S/c1-25-23(29)24(30)26-18-14-9-7-5-3-2-4-6-8-10-15-19-33-20-22(28)27-34(31,32)21-16-12-11-13-17-21/h3,5,11-13,16-17H,2,4,6-10,14-15,18-20H2,1H3,(H,25,29)(H,26,30)(H,27,28)/b5-3-.
What are the key properties of N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide?
N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide has a molecular weight of 495.64 g/mol, XLogP of 2.44, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-13-[2-(benzenesulfonamido)-2-oxoethoxy]tridec-5-enyl]-N-methyloxamide is sourced from PubChem (CID 126483539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).