4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide

C26H26N2O4S — CID 75857687

IUPAC4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C26H26N2O4S/c1-28(32-2)33(30,31)19-13-11-17(12-14-19)26(29)27-16-18-15-24-20-7-3-5-9-22(20)25(18)23-10-6-4-8-21(23)24/h3-14,18,24-25H,15-16H2,1-2H3,(H,27,29)
InChIKeyGNWRKZFFRARTDC-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.90
Rot. Bonds6

About 4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide

4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide (PubChem CID 75857687) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is 4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide.

Molecular Properties

Compound Name4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
PubChem CID75857687
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C26H26N2O4S/c1-28(32-2)33(30,31)19-13-11-17(12-14-19)26(29)27-16-18-15-24-20-7-3-5-9-22(20)25(18)23-10-6-4-8-21(23)24/h3-14,18,24-25H,15-16H2,1-2H3,(H,27,29)
InChIKeyGNWRKZFFRARTDC-UHFFFAOYSA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide
CID 25496478
4-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 5298348
4-chloro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 18205686
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 46423833
4-[methoxy(methyl)sulfamoyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55652196
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
N-[(2S)-4-oxo-4-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methylamino]butan-2-yl]benzamide
CID 30693866
2-(2-methoxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 24655876
6-(dimethylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridazine-3-carboxamide
CID 56511348
N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9224243
2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509
1-[(3-methylsulfonylbenzoyl)amino]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea
CID 166185052

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide?
The IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide (CID 75857687) is 4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide.
What is the SMILES notation for 4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide?
The canonical SMILES for 4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1.
What is the InChIKey of 4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide?
The InChIKey is GNWRKZFFRARTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-28(32-2)33(30,31)19-13-11-17(12-14-19)26(29)27-16-18-15-24-20-7-3-5-9-22(20)25(18)23-10-6-4-8-21(23)24/h3-14,18,24-25H,15-16H2,1-2H3,(H,27,29).
What are the key properties of 4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide?
4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide has a molecular weight of 462.57 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide is sourced from PubChem (CID 75857687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).