2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide

C24H28N2O5S — CID 24682599

IUPAC2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCCOCc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C24H28N2O5S/c1-20-10-12-23(13-11-20)32(28,29)26(17-22-9-5-16-31-22)18-24(27)25-14-6-15-30-19-21-7-3-2-4-8-21/h2-5,7-13,16H,6,14-15,17-19H2,1H3,(H,25,27)
InChIKeyPLPVGLWEXGDEIP-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.50
Rot. Bonds12

About 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide

2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide (PubChem CID 24682599) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide
PubChem CID24682599
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCCOCc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C24H28N2O5S/c1-20-10-12-23(13-11-20)32(28,29)26(17-22-9-5-16-31-22)18-24(27)25-14-6-15-30-19-21-7-3-2-4-8-21/h2-5,7-13,16H,6,14-15,17-19H2,1H3,(H,25,27)
InChIKeyPLPVGLWEXGDEIP-UHFFFAOYSA-N
XLogP3.50
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.50
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

N-[2-[[2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]ethyl]furan-2-carboxamide
CID 24683473
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
CID 126067032
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 7999685
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide
CID 24574934
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 21380398
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 126311474
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-ethoxypropyl)acetamide
CID 126331012
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide
CID 34216561
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
CID 86914416
N-(5-fluoro-2-methylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9211703

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide?
The IUPAC name of 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide (CID 24682599) is 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide?
The canonical SMILES for 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOCc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide?
The InChIKey is PLPVGLWEXGDEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-20-10-12-23(13-11-20)32(28,29)26(17-22-9-5-16-31-22)18-24(27)25-14-6-15-30-19-21-7-3-2-4-8-21/h2-5,7-13,16H,6,14-15,17-19H2,1H3,(H,25,27).
What are the key properties of 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide?
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide has a molecular weight of 456.56 g/mol, XLogP of 3.50, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide is sourced from PubChem (CID 24682599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).