2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide

C19H19ClN4O5S — CID 43047298

IUPAC2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2cc(C)on2)S(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C19H19ClN4O5S/c1-3-28-15-6-4-14(5-7-15)22-19(25)12-24(18-10-13(2)29-23-18)30(26,27)16-8-9-17(20)21-11-16/h4-11H,3,12H2,1-2H3,(H,22,25)
InChIKeyWZGWDSTVWCATIG-UHFFFAOYSA-N
MW450.90 g/mol
LogP3.26
Rot. Bonds8

About 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide

2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 43047298) has the molecular formula C19H19ClN4O5S and a molecular weight of 450.90 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide
PubChem CID43047298
Molecular FormulaC19H19ClN4O5S
Molecular Weight450.90 g/mol
Exact Mass450.08
IUPAC Name2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2cc(C)on2)S(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C19H19ClN4O5S/c1-3-28-15-6-4-14(5-7-15)22-19(25)12-24(18-10-13(2)29-23-18)30(26,27)16-8-9-17(20)21-11-16/h4-11H,3,12H2,1-2H3,(H,22,25)
InChIKeyWZGWDSTVWCATIG-UHFFFAOYSA-N
XLogP3.26
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 30659142
N-[2-(4-bromophenoxy)ethyl]-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 30659130
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 30171999
N-(4-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372895
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 30172422
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 30659159
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157845
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1363400
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894
N-(4-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126385893
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-chlorophenyl)acetamide
CID 1343150

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide (CID 43047298) is 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(c2cc(C)on2)S(=O)(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is WZGWDSTVWCATIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O5S/c1-3-28-15-6-4-14(5-7-15)22-19(25)12-24(18-10-13(2)29-23-18)30(26,27)16-8-9-17(20)21-11-16/h4-11H,3,12H2,1-2H3,(H,22,25).
What are the key properties of 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide?
2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 450.90 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 43047298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).