2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

C25H30N2O5S — CID 3911798

IUPAC2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C25H30N2O5S/c1-31-18-16-27(33(29,30)21-23-11-6-3-7-12-23)20-25(28)26(19-24-13-8-17-32-24)15-14-22-9-4-2-5-10-22/h2-13,17H,14-16,18-21H2,1H3
InChIKeyJYJUSIIFNKUQBR-UHFFFAOYSA-N
MW470.59 g/mol
LogP3.33
Rot. Bonds13

About 2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (PubChem CID 3911798) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
PubChem CID3911798
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC Name2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C25H30N2O5S/c1-31-18-16-27(33(29,30)21-23-11-6-3-7-12-23)20-25(28)26(19-24-13-8-17-32-24)15-14-22-9-4-2-5-10-22/h2-13,17H,14-16,18-21H2,1H3
InChIKeyJYJUSIIFNKUQBR-UHFFFAOYSA-N
XLogP3.33
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 4237814
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 4030296
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 3924733
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3911576
2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4312490
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)-N-(2-phenylethyl)acetamide
CID 24715047
N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42773241
N-(2-methoxyethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3919322
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 4021394
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 3880585
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42664764
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303

Frequently Asked Questions

What is the IUPAC name of 2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (CID 3911798) is 2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is COCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The InChIKey is JYJUSIIFNKUQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S/c1-31-18-16-27(33(29,30)21-23-11-6-3-7-12-23)20-25(28)26(19-24-13-8-17-32-24)15-14-22-9-4-2-5-10-22/h2-13,17H,14-16,18-21H2,1H3.
What are the key properties of 2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide has a molecular weight of 470.59 g/mol, XLogP of 3.33, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3911798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).