N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide

C22H18N2O2S — CID 2664381

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1N(C(=O)c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C22H18N2O2S/c1-15-12-13-19(26-2)18(14-15)24(21(25)16-8-4-3-5-9-16)22-23-17-10-6-7-11-20(17)27-22/h3-14H,1-2H3
InChIKeyKVVNUPFHUMMZRU-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.59
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide

N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 2664381) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID2664381
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1N(C(=O)c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C22H18N2O2S/c1-15-12-13-19(26-2)18(14-15)24(21(25)16-8-4-3-5-9-16)22-23-17-10-6-7-11-20(17)27-22/h3-14H,1-2H3
InChIKeyKVVNUPFHUMMZRU-UHFFFAOYSA-N
XLogP5.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide (CID 2664381) is N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1N(C(=O)c1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is KVVNUPFHUMMZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15-12-13-19(26-2)18(14-15)24(21(25)16-8-4-3-5-9-16)22-23-17-10-6-7-11-20(17)27-22/h3-14H,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide has a molecular weight of 374.47 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 2664381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).