2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide

C18H28N2O3S — CID 2292177

IUPAC2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28N2O3S/c1-15(2)13-19-18(21)14-20(16-9-5-3-6-10-16)24(22,23)17-11-7-4-8-12-17/h4,7-8,11-12,15-16H,3,5-6,9-10,13-14H2,1-2H3,(H,19,21)
InChIKeyHCAOESZYCSFODM-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.78
Rot. Bonds7

About 2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide

2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 2292177) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide
PubChem CID2292177
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28N2O3S/c1-15(2)13-19-18(21)14-20(16-9-5-3-6-10-16)24(22,23)17-11-7-4-8-12-17/h4,7-8,11-12,15-16H,3,5-6,9-10,13-14H2,1-2H3,(H,19,21)
InChIKeyHCAOESZYCSFODM-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide (CID 2292177) is 2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is HCAOESZYCSFODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-15(2)13-19-18(21)14-20(16-9-5-3-6-10-16)24(22,23)17-11-7-4-8-12-17/h4,7-8,11-12,15-16H,3,5-6,9-10,13-14H2,1-2H3,(H,19,21).
What are the key properties of 2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide?
2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 352.50 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(cyclohexyl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 2292177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).