2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide

C26H28ClN3O4S — CID 100795313

IUPAC2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C26H28ClN3O4S/c1-17-12-18(2)26(19(3)13-17)35(33,34)30(15-21-4-8-22(27)9-5-21)16-25(32)29-23-10-6-20(7-11-23)14-24(28)31/h4-13H,14-16H2,1-3H3,(H2,28,31)(H,29,32)
InChIKeyZOVGEVIGMCOMRB-UHFFFAOYSA-N
MW514.05 g/mol
LogP4.12
Rot. Bonds9

About 2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide

2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide (PubChem CID 100795313) has the molecular formula C26H28ClN3O4S and a molecular weight of 514.05 g/mol. Its IUPAC name is 2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
PubChem CID100795313
Molecular FormulaC26H28ClN3O4S
Molecular Weight514.05 g/mol
Exact Mass513.15
IUPAC Name2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C26H28ClN3O4S/c1-17-12-18(2)26(19(3)13-17)35(33,34)30(15-21-4-8-22(27)9-5-21)16-25(32)29-23-10-6-20(7-11-23)14-24(28)31/h4-13H,14-16H2,1-3H3,(H2,28,31)(H,29,32)
InChIKeyZOVGEVIGMCOMRB-UHFFFAOYSA-N
XLogP4.12
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.05
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide with MolForge

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Related Compounds

2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)acetamide
CID 4185982
2-[4-[[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793363
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546584
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 5044769
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 4105507
2-[4-[[2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793272
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100798569
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 4113243
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 987006
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 1324652
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 21373137

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide (CID 100795313) is 2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)Cc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide?
The InChIKey is ZOVGEVIGMCOMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O4S/c1-17-12-18(2)26(19(3)13-17)35(33,34)30(15-21-4-8-22(27)9-5-21)16-25(32)29-23-10-6-20(7-11-23)14-24(28)31/h4-13H,14-16H2,1-3H3,(H2,28,31)(H,29,32).
What are the key properties of 2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide?
2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide has a molecular weight of 514.05 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 100795313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).