N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide

C22H24ClN3O5S — CID 20858898

IUPACN-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H24ClN3O5S/c1-4-30-19-11-9-18(10-12-19)26(32(28,29)22-15(2)25-31-16(22)3)14-21(27)24-13-17-7-5-6-8-20(17)23/h5-12H,4,13-14H2,1-3H3,(H,24,27)
InChIKeyGJNJYTHGEPVGMI-UHFFFAOYSA-N
MW477.97 g/mol
LogP3.86
Rot. Bonds9

About N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide

N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide (PubChem CID 20858898) has the molecular formula C22H24ClN3O5S and a molecular weight of 477.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
PubChem CID20858898
Molecular FormulaC22H24ClN3O5S
Molecular Weight477.97 g/mol
Exact Mass477.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H24ClN3O5S/c1-4-30-19-11-9-18(10-12-19)26(32(28,29)22-15(2)25-31-16(22)3)14-21(27)24-13-17-7-5-6-8-20(17)23/h5-12H,4,13-14H2,1-3H3,(H,24,27)
InChIKeyGJNJYTHGEPVGMI-UHFFFAOYSA-N
XLogP3.86
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide (CID 20858898) is N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide is CCOc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
The InChIKey is GJNJYTHGEPVGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O5S/c1-4-30-19-11-9-18(10-12-19)26(32(28,29)22-15(2)25-31-16(22)3)14-21(27)24-13-17-7-5-6-8-20(17)23/h5-12H,4,13-14H2,1-3H3,(H,24,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide has a molecular weight of 477.97 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 N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide is sourced from PubChem (CID 20858898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).