N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide

C18H28N2O3S — CID 33145606

IUPACN-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-14(2)18(21)19-12-13-20-24(22,23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,20H,3-7,12-13H2,1-2H3,(H,19,21)
InChIKeyPLLMBSVSQASGIO-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.78
Rot. Bonds7

About N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide

N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide (PubChem CID 33145606) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide
PubChem CID33145606
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-14(2)18(21)19-12-13-20-24(22,23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,20H,3-7,12-13H2,1-2H3,(H,19,21)
InChIKeyPLLMBSVSQASGIO-UHFFFAOYSA-N
XLogP2.78
TPSA75.27 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-cyclohexylphenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8841087
N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide
CID 63731804
4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 52708157
4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 24563832
3-[(4-cyclohexylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)propanamide
CID 30162607
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571108
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103802
2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid
CID 60661371
2-[(4-cyclohexylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254541
propan-2-yl 4-[(4-cyclohexylphenyl)sulfonylamino]benzoate
CID 7938910
N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 60917467

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide (CID 33145606) is N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNS(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide?
The InChIKey is PLLMBSVSQASGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14(2)18(21)19-12-13-20-24(22,23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,20H,3-7,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide?
N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide has a molecular weight of 352.50 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 33145606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).