2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

C25H30N2O5S — CID 4030296

IUPAC2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H30N2O5S/c1-21-13-14-23(32-21)19-26(16-15-22-9-5-3-6-10-22)25(28)20-27(17-18-31-2)33(29,30)24-11-7-4-8-12-24/h3-14H,15-20H2,1-2H3
InChIKeyWZZQVQDATAMZJR-UHFFFAOYSA-N
MW470.59 g/mol
LogP3.50
Rot. Bonds12

About 2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 4030296) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID4030296
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC Name2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H30N2O5S/c1-21-13-14-23(32-21)19-26(16-15-22-9-5-3-6-10-22)25(28)20-27(17-18-31-2)33(29,30)24-11-7-4-8-12-24/h3-14H,15-20H2,1-2H3
InChIKeyWZZQVQDATAMZJR-UHFFFAOYSA-N
XLogP3.50
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(3-methylbutyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3961353
N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenylethyl)acetamide
CID 4675633
methyl (2S)-2-[2-methoxyethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
CID 7360740
N-(2-methoxyethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3919322
2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911798
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3322210
N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-phenylethyl)acetamide
CID 93114798
N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3298683
2-[benzenesulfonyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773228
2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 92915087
4-fluoro-N-(3-methoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4284944
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4291924

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 4030296) is 2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is COCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is WZZQVQDATAMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S/c1-21-13-14-23(32-21)19-26(16-15-22-9-5-3-6-10-22)25(28)20-27(17-18-31-2)33(29,30)24-11-7-4-8-12-24/h3-14H,15-20H2,1-2H3.
What are the key properties of 2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 470.59 g/mol, XLogP of 3.50, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4030296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).