2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide

C17H25NO2S — CID 134998259

IUPAC2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide
SMILESCC1(NS(=O)(=O)C(C)(C)C)CCCC=C1c1ccccc1
InChIInChI=1S/C17H25NO2S/c1-16(2,3)21(19,20)18-17(4)13-9-8-12-15(17)14-10-6-5-7-11-14/h5-7,10-12,18H,8-9,13H2,1-4H3
InChIKeyZQWKOUZNZVAYEL-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.73
Rot. Bonds3

About 2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide

2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide (PubChem CID 134998259) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide
PubChem CID134998259
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide
SMILESCC1(NS(=O)(=O)C(C)(C)C)CCCC=C1c1ccccc1
InChIInChI=1S/C17H25NO2S/c1-16(2,3)21(19,20)18-17(4)13-9-8-12-15(17)14-10-6-5-7-11-14/h5-7,10-12,18H,8-9,13H2,1-4H3
InChIKeyZQWKOUZNZVAYEL-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide (CID 134998259) is 2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide is CC1(NS(=O)(=O)C(C)(C)C)CCCC=C1c1ccccc1.
What is the InChIKey of 2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide?
The InChIKey is ZQWKOUZNZVAYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-16(2,3)21(19,20)18-17(4)13-9-8-12-15(17)14-10-6-5-7-11-14/h5-7,10-12,18H,8-9,13H2,1-4H3.
What are the key properties of 2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide?
2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyl-2-phenylcyclohex-2-en-1-yl)propane-2-sulfonamide is sourced from PubChem (CID 134998259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).