N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

C21H18N2O2S — CID 1026560

IUPACN-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4cccs4)c3)nc2c1
InChIInChI=1S/C21H18N2O2S/c1-13-5-8-19-18(10-13)23-21(25-19)15-7-6-14(2)17(11-15)22-20(24)12-16-4-3-9-26-16/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyJRZUETATZWRLGT-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.35
Rot. Bonds4

About N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 1026560) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID1026560
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4cccs4)c3)nc2c1
InChIInChI=1S/C21H18N2O2S/c1-13-5-8-19-18(10-13)23-21(25-19)15-7-6-14(2)17(11-15)22-20(24)12-16-4-3-9-26-16/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyJRZUETATZWRLGT-UHFFFAOYSA-N
XLogP5.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 1026560) is N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is Cc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4cccs4)c3)nc2c1.
What is the InChIKey of N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is JRZUETATZWRLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-13-5-8-19-18(10-13)23-21(25-19)15-7-6-14(2)17(11-15)22-20(24)12-16-4-3-9-26-16/h3-11H,12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 362.45 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1026560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).