N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide

C30H45NO2S — CID 165017818

IUPACN-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide
SMILESCC(C)=CCC/C(C)=C/CN(CCCC1C2CC3CC(C2)CC1C3)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H45NO2S/c1-22(2)7-5-8-23(3)14-16-31(34(32,33)29-12-10-24(4)11-13-29)15-6-9-30-27-18-25-17-26(20-27)21-28(30)19-25/h7,10-14,25-28,30H,5-6,8-9,15-21H2,1-4H3/b23-14+
InChIKeyFUZPMTOYQNDBGD-OEAKJJBVSA-N
MW483.76 g/mol
LogP7.53
Rot. Bonds11

About N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide

N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide (PubChem CID 165017818) has the molecular formula C30H45NO2S and a molecular weight of 483.76 g/mol. Its IUPAC name is N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide
PubChem CID165017818
Molecular FormulaC30H45NO2S
Molecular Weight483.76 g/mol
Exact Mass483.32
IUPAC NameN-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide
SMILESCC(C)=CCC/C(C)=C/CN(CCCC1C2CC3CC(C2)CC1C3)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H45NO2S/c1-22(2)7-5-8-23(3)14-16-31(34(32,33)29-12-10-24(4)11-13-29)15-6-9-30-27-18-25-17-26(20-27)21-28(30)19-25/h7,10-14,25-28,30H,5-6,8-9,15-21H2,1-4H3/b23-14+
InChIKeyFUZPMTOYQNDBGD-OEAKJJBVSA-N
XLogP7.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.76
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide 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

N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethanesulfonamide
CID 165017817
methyl N-[[(2E)-3,7-dimethylocta-2,6-dienyl]-(4-methylphenyl)sulfonylamino]carbamate
CID 102308482
(2E)-N-[3-(2-adamantyl)propyl]-3,7-dimethylocta-2,6-dien-1-amine;bis(N-[3-(1-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethanesulfonamide);ethanesulfonyl chloride;methane;dihydrochloride
CID 165033961
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 4-methylbenzenesulfonate
CID 71736880
4-methylbenzenesulfonic acid;5-methylhex-4-en-1-ol
CID 71392567
N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
N-(3-cyclopropylprop-2-ynyl)-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 135078346
1-[(2E)-2,8-dimethylnona-2,7-dienyl]sulfonyl-4-methylbenzene
CID 10402911
4-methyl-N-(3-oxobutyl)-N-prop-2-enylbenzenesulfonamide
CID 102089023
1-[(5E)-6,10-dimethylundeca-1,5,9-trien-3-yl]sulfonyl-4-methylbenzene
CID 12748555
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide
CID 10667955
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide (CID 165017818) is N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide is CC(C)=CCC/C(C)=C/CN(CCCC1C2CC3CC(C2)CC1C3)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide?
The InChIKey is FUZPMTOYQNDBGD-OEAKJJBVSA-N. The full InChI is InChI=1S/C30H45NO2S/c1-22(2)7-5-8-23(3)14-16-31(34(32,33)29-12-10-24(4)11-13-29)15-6-9-30-27-18-25-17-26(20-27)21-28(30)19-25/h7,10-14,25-28,30H,5-6,8-9,15-21H2,1-4H3/b23-14+.
What are the key properties of N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide?
N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide has a molecular weight of 483.76 g/mol, XLogP of 7.53, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-adamantyl)propyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 165017818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).