2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide

C25H27N3O5S — CID 100797709

IUPAC2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-2-33-22-12-14-23(15-13-22)34(31,32)28(17-20-6-4-3-5-7-20)18-25(30)27-21-10-8-19(9-11-21)16-24(26)29/h3-15H,2,16-18H2,1H3,(H2,26,29)(H,27,30)
InChIKeyNRAFOUVJARJOSU-UHFFFAOYSA-N
MW481.57 g/mol
LogP2.94
Rot. Bonds11

About 2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide

2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide (PubChem CID 100797709) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
PubChem CID100797709
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-2-33-22-12-14-23(15-13-22)34(31,32)28(17-20-6-4-3-5-7-20)18-25(30)27-21-10-8-19(9-11-21)16-24(26)29/h3-15H,2,16-18H2,1H3,(H2,26,29)(H,27,30)
InChIKeyNRAFOUVJARJOSU-UHFFFAOYSA-N
XLogP2.94
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-[[2-[benzyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100789939
2-[benzyl-(3,4-dichlorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695357
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-ethoxyphenyl)acetamide
CID 2173217
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126063548
2-[4-[[2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793272
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-ethylphenyl)acetamide
CID 45373180
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
N-(4-acetamidophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 7937656
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide
CID 126068032
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 3921360

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide (CID 100797709) is 2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide?
The InChIKey is NRAFOUVJARJOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-2-33-22-12-14-23(15-13-22)34(31,32)28(17-20-6-4-3-5-7-20)18-25(30)27-21-10-8-19(9-11-21)16-24(26)29/h3-15H,2,16-18H2,1H3,(H2,26,29)(H,27,30).
What are the key properties of 2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide?
2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide has a molecular weight of 481.57 g/mol, XLogP of 2.94, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 100797709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).