2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide

C23H39NO5S — CID 139793483

IUPAC2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide
SMILESCCCCCCOC(C(=O)Nc1ccccc1)S(=O)(=O)C(CCC)C(CCC)OC
InChIInChI=1S/C23H39NO5S/c1-5-8-9-13-18-29-23(22(25)24-19-16-11-10-12-17-19)30(26,27)21(15-7-3)20(28-4)14-6-2/h10-12,16-17,20-21,23H,5-9,13-15,18H2,1-4H3,(H,24,25)
InChIKeyIGBVMMIGKNUOCT-UHFFFAOYSA-N
MW441.63 g/mol
LogP4.95
Rot. Bonds16

About 2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide

2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide (PubChem CID 139793483) has the molecular formula C23H39NO5S and a molecular weight of 441.63 g/mol. Its IUPAC name is 2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide
PubChem CID139793483
Molecular FormulaC23H39NO5S
Molecular Weight441.63 g/mol
Exact Mass441.25
IUPAC Name2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide
SMILESCCCCCCOC(C(=O)Nc1ccccc1)S(=O)(=O)C(CCC)C(CCC)OC
InChIInChI=1S/C23H39NO5S/c1-5-8-9-13-18-29-23(22(25)24-19-16-11-10-12-17-19)30(26,27)21(15-7-3)20(28-4)14-6-2/h10-12,16-17,20-21,23H,5-9,13-15,18H2,1-4H3,(H,24,25)
InChIKeyIGBVMMIGKNUOCT-UHFFFAOYSA-N
XLogP4.95
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.63
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-nonoxy-3-oxo-N-phenylbutanamide
CID 20558460
2-butoxy-N-phenyldodecanamide
CID 70626065
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
(1-anilino-1-oxopropan-2-yl) 4-hexoxybenzoate
CID 5078511
dodecyl N-phenylcarbamate
CID 521818
2-benzoyl-N-phenylheptanamide
CID 87965233
2-methyl-N-phenylpentanamide
CID 4627801
2,4-dihydroxy-N-phenyldodecanamide
CID 91612582
2-tert-butyl-N-phenylheptanamide
CID 67683128
2-(octylamino)-N-phenylpropanamide
CID 78914372
2-phenoxy-N-phenylhexanamide
CID 70624716
methyl (2R)-2-decoxy-2-phenylacetate
CID 45114277

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide?
The IUPAC name of 2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide (CID 139793483) is 2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide.
What is the SMILES notation for 2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide?
The canonical SMILES for 2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide is CCCCCCOC(C(=O)Nc1ccccc1)S(=O)(=O)C(CCC)C(CCC)OC.
What is the InChIKey of 2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide?
The InChIKey is IGBVMMIGKNUOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO5S/c1-5-8-9-13-18-29-23(22(25)24-19-16-11-10-12-17-19)30(26,27)21(15-7-3)20(28-4)14-6-2/h10-12,16-17,20-21,23H,5-9,13-15,18H2,1-4H3,(H,24,25).
What are the key properties of 2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide?
2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide has a molecular weight of 441.63 g/mol, XLogP of 4.95, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide is sourced from PubChem (CID 139793483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).