4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide

C25H23NO3S — CID 25496478

IUPAC4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C25H23NO3S/c1-30(28,29)18-12-10-16(11-13-18)25(27)26-15-17-14-23-19-6-2-4-8-21(19)24(17)22-9-5-3-7-20(22)23/h2-13,17,23-24H,14-15H2,1H3,(H,26,27)/t17-,23?,24?/m0/s1
InChIKeyHWJTXBJSILPCIN-XWFFHEKESA-N
MW417.53 g/mol
LogP4.12
Rot. Bonds4

About 4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide

4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide (PubChem CID 25496478) has the molecular formula C25H23NO3S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide
PubChem CID25496478
Molecular FormulaC25H23NO3S
Molecular Weight417.53 g/mol
Exact Mass417.14
IUPAC Name4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C25H23NO3S/c1-30(28,29)18-12-10-16(11-13-18)25(27)26-15-17-14-23-19-6-2-4-8-21(19)24(17)22-9-5-3-7-20(22)23/h2-13,17,23-24H,14-15H2,1H3,(H,26,27)/t17-,23?,24?/m0/s1
InChIKeyHWJTXBJSILPCIN-XWFFHEKESA-N
XLogP4.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 5298348
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
4-chloro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 18205686
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
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-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509
5-bromo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyridine-3-carboxamide
CID 18270618
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689611
4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide
CID 7335395
(2R)-2-amino-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide;hydrochloride
CID 119271324
3-methyl-2-nitro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 18284036
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

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide?
The IUPAC name of 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) is 4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide is CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1.
What is the InChIKey of 4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide?
The InChIKey is HWJTXBJSILPCIN-XWFFHEKESA-N. The full InChI is InChI=1S/C25H23NO3S/c1-30(28,29)18-12-10-16(11-13-18)25(27)26-15-17-14-23-19-6-2-4-8-21(19)24(17)22-9-5-3-7-20(22)23/h2-13,17,23-24H,14-15H2,1H3,(H,26,27)/t17-,23?,24?/m0/s1.
What are the key properties of 4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide?
4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide is sourced from PubChem (CID 25496478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).