N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide

C17H20N2O3S — CID 25047509

IUPACN-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CC3C4C=CC(C4)C3C2)cc1
InChIInChI=1S/C17H20N2O3S/c1-11-2-6-14(7-3-11)23(21,22)18-17(20)19-9-15-12-4-5-13(8-12)16(15)10-19/h2-7,12-13,15-16H,8-10H2,1H3,(H,18,20)
InChIKeyOSBFARPATXXOPB-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.15
Rot. Bonds2

About N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide

N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide (PubChem CID 25047509) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
PubChem CID25047509
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CC3C4C=CC(C4)C3C2)cc1
InChIInChI=1S/C17H20N2O3S/c1-11-2-6-14(7-3-11)23(21,22)18-17(20)19-9-15-12-4-5-13(8-12)16(15)10-19/h2-7,12-13,15-16H,8-10H2,1H3,(H,18,20)
InChIKeyOSBFARPATXXOPB-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide 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

4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110748344
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide
CID 23322466
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 110396656
3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110602930
4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110394017
3-(1,3-benzodioxol-5-yl)-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 110423947
[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate
CID 175378510
(1S,2R,3R,4R)-3-[(4-methylphenyl)sulfonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11066768

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide (CID 25047509) is N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CC3C4C=CC(C4)C3C2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide?
The InChIKey is OSBFARPATXXOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-2-6-14(7-3-11)23(21,22)18-17(20)19-9-15-12-4-5-13(8-12)16(15)10-19/h2-7,12-13,15-16H,8-10H2,1H3,(H,18,20).
What are the key properties of N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide?
N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide is sourced from PubChem (CID 25047509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).