N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide

C22H18N2O2S — CID 1366812

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
SMILESCc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1
InChIInChI=1S/C22H18N2O2S/c1-15-11-12-16(22-24-18-9-5-6-10-20(18)27-22)13-19(15)23-21(25)14-26-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyAGWXVVDQTWPGEA-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.29
Rot. Bonds5

About N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide

N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide (PubChem CID 1366812) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
PubChem CID1366812
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
SMILESCc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1
InChIInChI=1S/C22H18N2O2S/c1-15-11-12-16(22-24-18-9-5-6-10-20(18)27-22)13-19(15)23-21(25)14-26-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyAGWXVVDQTWPGEA-UHFFFAOYSA-N
XLogP5.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide (CID 1366812) is N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide is Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide?
The InChIKey is AGWXVVDQTWPGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15-11-12-16(22-24-18-9-5-6-10-20(18)27-22)13-19(15)23-21(25)14-26-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide?
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide has a molecular weight of 374.47 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 1366812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).