N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide

C26H24N4O4S — CID 58965371

IUPACN-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCOc1ccc2nc(NC(=O)CNC(=O)CC(NC(=O)c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C26H24N4O4S/c1-34-19-12-13-20-22(14-19)35-26(29-20)30-24(32)16-27-23(31)15-21(17-8-4-2-5-9-17)28-25(33)18-10-6-3-7-11-18/h2-14,21H,15-16H2,1H3,(H,27,31)(H,28,33)(H,29,30,32)
InChIKeyWYWHJSJAVWMJGU-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.92
Rot. Bonds9

About N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 58965371) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID58965371
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC NameN-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCOc1ccc2nc(NC(=O)CNC(=O)CC(NC(=O)c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C26H24N4O4S/c1-34-19-12-13-20-22(14-19)35-26(29-20)30-24(32)16-27-23(31)15-21(17-8-4-2-5-9-17)28-25(33)18-10-6-3-7-11-18/h2-14,21H,15-16H2,1H3,(H,27,31)(H,28,33)(H,29,30,32)
InChIKeyWYWHJSJAVWMJGU-UHFFFAOYSA-N
XLogP3.92
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 58965371) is N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide is COc1ccc2nc(NC(=O)CNC(=O)CC(NC(=O)c3ccccc3)c3ccccc3)sc2c1.
What is the InChIKey of N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is WYWHJSJAVWMJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-34-19-12-13-20-22(14-19)35-26(29-20)30-24(32)16-27-23(31)15-21(17-8-4-2-5-9-17)28-25(33)18-10-6-3-7-11-18/h2-14,21H,15-16H2,1H3,(H,27,31)(H,28,33)(H,29,30,32).
What are the key properties of N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 488.57 g/mol, XLogP of 3.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 58965371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).