2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H18ClN3O5S — CID 2527610

IUPAC2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O5S/c1-13-11-18(22-28-13)21-19(24)12-23(15-5-7-16(27-2)8-6-15)29(25,26)17-9-3-14(20)4-10-17/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyGGCGVGUNHULDAV-UHFFFAOYSA-N
MW435.89 g/mol
LogP3.48
Rot. Bonds7

About 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2527610) has the molecular formula C19H18ClN3O5S and a molecular weight of 435.89 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2527610
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.89 g/mol
Exact Mass435.07
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O5S/c1-13-11-18(22-28-13)21-19(24)12-23(15-5-7-16(27-2)8-6-15)29(25,26)17-9-3-14(20)4-10-17/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyGGCGVGUNHULDAV-UHFFFAOYSA-N
XLogP3.48
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2527610) is 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is GGCGVGUNHULDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S/c1-13-11-18(22-28-13)21-19(24)12-23(15-5-7-16(27-2)8-6-15)29(25,26)17-9-3-14(20)4-10-17/h3-11H,12H2,1-2H3,(H,21,22,24).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 435.89 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2527610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).