N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide

C21H34N2O4S — CID 47029916

IUPACN-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
SMILESCC1CCC(C(C)C)C(OCC(=O)NCCNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H34N2O4S/c1-16(2)19-10-9-17(3)13-20(19)27-14-21(24)22-11-12-23-28(25,26)15-18-7-5-4-6-8-18/h4-8,16-17,19-20,23H,9-15H2,1-3H3,(H,22,24)
InChIKeyAUCDQYDZGWXARU-UHFFFAOYSA-N
MW410.58 g/mol
LogP2.70
Rot. Bonds10

About N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide

N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide (PubChem CID 47029916) has the molecular formula C21H34N2O4S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
PubChem CID47029916
Molecular FormulaC21H34N2O4S
Molecular Weight410.58 g/mol
Exact Mass410.22
IUPAC NameN-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
SMILESCC1CCC(C(C)C)C(OCC(=O)NCCNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H34N2O4S/c1-16(2)19-10-9-17(3)13-20(19)27-14-21(24)22-11-12-23-28(25,26)15-18-7-5-4-6-8-18/h4-8,16-17,19-20,23H,9-15H2,1-3H3,(H,22,24)
InChIKeyAUCDQYDZGWXARU-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide
CID 167875838
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 59992252
N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 51672103
benzyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]prop-2-enoate
CID 11255989
N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 166181611
N-[2-(methylamino)propyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 120829592
N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide
CID 166206981
N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42939618
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-methyl-3-phenyl-2-trimethylsilylpropanoate
CID 14001581

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
The IUPAC name of N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide (CID 47029916) is N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
The canonical SMILES for N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide is CC1CCC(C(C)C)C(OCC(=O)NCCNS(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
The InChIKey is AUCDQYDZGWXARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4S/c1-16(2)19-10-9-17(3)13-20(19)27-14-21(24)22-11-12-23-28(25,26)15-18-7-5-4-6-8-18/h4-8,16-17,19-20,23H,9-15H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide has a molecular weight of 410.58 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide is sourced from PubChem (CID 47029916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).