ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate

C29H34N2O5S — CID 100795024

IUPACethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C29H34N2O5S/c1-5-36-28(33)19-25-11-13-26(14-12-25)30-27(32)20-31(16-15-24-9-7-6-8-10-24)37(34,35)29-22(3)17-21(2)18-23(29)4/h6-14,17-18H,5,15-16,19-20H2,1-4H3,(H,30,32)
InChIKeyQMEHCNAFBFAZRZ-UHFFFAOYSA-N
MW522.67 g/mol
LogP4.59
Rot. Bonds11

About ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate

ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate (PubChem CID 100795024) has the molecular formula C29H34N2O5S and a molecular weight of 522.67 g/mol. Its IUPAC name is ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
PubChem CID100795024
Molecular FormulaC29H34N2O5S
Molecular Weight522.67 g/mol
Exact Mass522.22
IUPAC Nameethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C29H34N2O5S/c1-5-36-28(33)19-25-11-13-26(14-12-25)30-27(32)20-31(16-15-24-9-7-6-8-10-24)37(34,35)29-22(3)17-21(2)18-23(29)4/h6-14,17-18H,5,15-16,19-20H2,1-4H3,(H,30,32)
InChIKeyQMEHCNAFBFAZRZ-UHFFFAOYSA-N
XLogP4.59
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.67
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371884
ethyl 2-[4-[[2-[benzyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100789939
N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371728
N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 989293
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373087
N,N-diethyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373099
N-(3-ethoxypropyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126372001
2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 2202483
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126068356
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 21373137
ethyl 2-[4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100795858
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate (CID 100795024) is ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate?
The InChIKey is QMEHCNAFBFAZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5S/c1-5-36-28(33)19-25-11-13-26(14-12-25)30-27(32)20-31(16-15-24-9-7-6-8-10-24)37(34,35)29-22(3)17-21(2)18-23(29)4/h6-14,17-18H,5,15-16,19-20H2,1-4H3,(H,30,32).
What are the key properties of ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate?
ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate has a molecular weight of 522.67 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate is sourced from PubChem (CID 100795024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).