2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

C22H17N3O3S — CID 35871813

IUPAC2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc2sc(NC(=O)c3ccccc3NC(=O)c3ccccc3)nc12
InChIInChI=1S/C22H17N3O3S/c1-28-17-12-7-13-18-19(17)24-22(29-18)25-21(27)15-10-5-6-11-16(15)23-20(26)14-8-3-2-4-9-14/h2-13H,1H3,(H,23,26)(H,24,25,27)
InChIKeyRBMKMQJTLKNCAJ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.81
Rot. Bonds5

About 2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 35871813) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID35871813
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc2sc(NC(=O)c3ccccc3NC(=O)c3ccccc3)nc12
InChIInChI=1S/C22H17N3O3S/c1-28-17-12-7-13-18-19(17)24-22(29-18)25-21(27)15-10-5-6-11-16(15)23-20(26)14-8-3-2-4-9-14/h2-13H,1H3,(H,23,26)(H,24,25,27)
InChIKeyRBMKMQJTLKNCAJ-UHFFFAOYSA-N
XLogP4.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
CID 46291080
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
CID 78797294
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 16803054
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 35871813) is 2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1cccc2sc(NC(=O)c3ccccc3NC(=O)c3ccccc3)nc12.
What is the InChIKey of 2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is RBMKMQJTLKNCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-28-17-12-7-13-18-19(17)24-22(29-18)25-21(27)15-10-5-6-11-16(15)23-20(26)14-8-3-2-4-9-14/h2-13H,1H3,(H,23,26)(H,24,25,27).
What are the key properties of 2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 403.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 35871813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).