N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide

C22H18N2O2S — CID 9320918

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C22H18N2O2S/c1-2-26-19-12-5-3-10-17(19)21(25)23-16-9-7-8-15(14-16)22-24-18-11-4-6-13-20(18)27-22/h3-14H,2H2,1H3,(H,23,25)
InChIKeyOHAPNYMLHXZSOY-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.61
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide (PubChem CID 9320918) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide
PubChem CID9320918
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C22H18N2O2S/c1-2-26-19-12-5-3-10-17(19)21(25)23-16-9-7-8-15(14-16)22-24-18-11-4-6-13-20(18)27-22/h3-14H,2H2,1H3,(H,23,25)
InChIKeyOHAPNYMLHXZSOY-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide (CID 9320918) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide?
The InChIKey is OHAPNYMLHXZSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-2-26-19-12-5-3-10-17(19)21(25)23-16-9-7-8-15(14-16)22-24-18-11-4-6-13-20(18)27-22/h3-14H,2H2,1H3,(H,23,25).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide has a molecular weight of 374.47 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide is sourced from PubChem (CID 9320918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).