2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide

C19H27NO3S — CID 135032879

IUPAC2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CC2=CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H27NO3S/c1-14-5-11-17(12-6-14)24(22,23)20-18(21)13-15-7-9-16(10-8-15)19(2,3)4/h5-7,11-12,16H,8-10,13H2,1-4H3,(H,20,21)
InChIKeyFLQSOVKBFMOXJZ-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.96
Rot. Bonds4

About 2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide

2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 135032879) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID135032879
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CC2=CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H27NO3S/c1-14-5-11-17(12-6-14)24(22,23)20-18(21)13-15-7-9-16(10-8-15)19(2,3)4/h5-7,11-12,16H,8-10,13H2,1-4H3,(H,20,21)
InChIKeyFLQSOVKBFMOXJZ-UHFFFAOYSA-N
XLogP3.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide (CID 135032879) is 2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)NC(=O)CC2=CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is FLQSOVKBFMOXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S/c1-14-5-11-17(12-6-14)24(22,23)20-18(21)13-15-7-9-16(10-8-15)19(2,3)4/h5-7,11-12,16H,8-10,13H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide?
2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 349.50 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexen-1-yl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 135032879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).