2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C21H22ClN3O5S — CID 2695487

IUPAC2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C21H22ClN3O5S/c1-3-29-17-8-10-18(11-9-17)31(27,28)25(13-16-6-4-5-7-19(16)22)14-21(26)23-20-12-15(2)30-24-20/h4-12H,3,13-14H2,1-2H3,(H,23,24,26)
InChIKeyLKNHCWRIQYSGKQ-UHFFFAOYSA-N
MW463.94 g/mol
LogP3.86
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2695487) has the molecular formula C21H22ClN3O5S and a molecular weight of 463.94 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2695487
Molecular FormulaC21H22ClN3O5S
Molecular Weight463.94 g/mol
Exact Mass463.10
IUPAC Name2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C21H22ClN3O5S/c1-3-29-17-8-10-18(11-9-17)31(27,28)25(13-16-6-4-5-7-19(16)22)14-21(26)23-20-12-15(2)30-24-20/h4-12H,3,13-14H2,1-2H3,(H,23,24,26)
InChIKeyLKNHCWRIQYSGKQ-UHFFFAOYSA-N
XLogP3.86
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2695487) is 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is LKNHCWRIQYSGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5S/c1-3-29-17-8-10-18(11-9-17)31(27,28)25(13-16-6-4-5-7-19(16)22)14-21(26)23-20-12-15(2)30-24-20/h4-12H,3,13-14H2,1-2H3,(H,23,24,26).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 463.94 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2695487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).