2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H17N3O5S2 — CID 2128214

IUPAC2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H17N3O5S2/c1-12-10-15(19-25-12)18-16(21)11-20(13-6-3-4-7-14(13)24-2)27(22,23)17-8-5-9-26-17/h3-10H,11H2,1-2H3,(H,18,19,21)
InChIKeyQNLPJFWSKSZJBA-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.89
Rot. Bonds7

About 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2128214) has the molecular formula C17H17N3O5S2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2128214
Molecular FormulaC17H17N3O5S2
Molecular Weight407.47 g/mol
Exact Mass407.06
IUPAC Name2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H17N3O5S2/c1-12-10-15(19-25-12)18-16(21)11-20(13-6-3-4-7-14(13)24-2)27(22,23)17-8-5-9-26-17/h3-10H,11H2,1-2H3,(H,18,19,21)
InChIKeyQNLPJFWSKSZJBA-UHFFFAOYSA-N
XLogP2.89
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2128214) is 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is QNLPJFWSKSZJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S2/c1-12-10-15(19-25-12)18-16(21)11-20(13-6-3-4-7-14(13)24-2)27(22,23)17-8-5-9-26-17/h3-10H,11H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2128214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).