2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide

C21H20Cl2N2O4S — CID 1331141

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccco1
InChIInChI=1S/C21H20Cl2N2O4S/c22-17-8-9-19(23)20(13-17)30(27,28)25(11-10-16-5-2-1-3-6-16)15-21(26)24-14-18-7-4-12-29-18/h1-9,12-13H,10-11,14-15H2,(H,24,26)
InChIKeyLBWSBAWSRQYWHQ-UHFFFAOYSA-N
MW467.37 g/mol
LogP4.14
Rot. Bonds9

About 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1331141) has the molecular formula C21H20Cl2N2O4S and a molecular weight of 467.37 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID1331141
Molecular FormulaC21H20Cl2N2O4S
Molecular Weight467.37 g/mol
Exact Mass466.05
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccco1
InChIInChI=1S/C21H20Cl2N2O4S/c22-17-8-9-19(23)20(13-17)30(27,28)25(11-10-16-5-2-1-3-6-16)15-21(26)24-14-18-7-4-12-29-18/h1-9,12-13H,10-11,14-15H2,(H,24,26)
InChIKeyLBWSBAWSRQYWHQ-UHFFFAOYSA-N
XLogP4.14
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28545720
N-(2,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016543
N-(3,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126020917
N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
CID 126012482
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 126022251
N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016058
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 45371966
N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3572091
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861366
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126015329
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 6493708

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 1331141) is 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide is O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccco1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LBWSBAWSRQYWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O4S/c22-17-8-9-19(23)20(13-17)30(27,28)25(11-10-16-5-2-1-3-6-16)15-21(26)24-14-18-7-4-12-29-18/h1-9,12-13H,10-11,14-15H2,(H,24,26).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 467.37 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1331141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).