2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide

C25H27ClN2O3S — CID 126095141

IUPAC2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-4-21-10-6-8-19(3)25(21)27-24(29)17-28(16-20-9-5-7-18(2)15-20)32(30,31)23-13-11-22(26)12-14-23/h5-15H,4,16-17H2,1-3H3,(H,27,29)
InChIKeyGYNVDSJZXUWPCJ-UHFFFAOYSA-N
MW471.02 g/mol
LogP5.35
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 126095141) has the molecular formula C25H27ClN2O3S and a molecular weight of 471.02 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID126095141
Molecular FormulaC25H27ClN2O3S
Molecular Weight471.02 g/mol
Exact Mass470.14
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-4-21-10-6-8-19(3)25(21)27-24(29)17-28(16-20-9-5-7-18(2)15-20)32(30,31)23-13-11-22(26)12-14-23/h5-15H,4,16-17H2,1-3H3,(H,27,29)
InChIKeyGYNVDSJZXUWPCJ-UHFFFAOYSA-N
XLogP5.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.02
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 126095868
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2620856
N-(5-chloro-2-methylphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069224
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 30233542
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126325627
N-(3,5-dichlorophenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069194
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792176
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-pentylacetamide
CID 126393057
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23737822
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)acetamide
CID 4185982
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401175
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126316549

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 126095141) is 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is GYNVDSJZXUWPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3S/c1-4-21-10-6-8-19(3)25(21)27-24(29)17-28(16-20-9-5-7-18(2)15-20)32(30,31)23-13-11-22(26)12-14-23/h5-15H,4,16-17H2,1-3H3,(H,27,29).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 471.02 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 126095141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).