N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

C22H23N3O3S — CID 46328736

IUPACN-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(COc1ccccc1)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1
InChIInChI=1S/C22H23N3O3S/c26-20(14-28-17-9-5-2-6-10-17)23-16-11-12-19-18(13-16)24-22(29-19)25-21(27)15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H,23,26)(H,24,25,27)
InChIKeyZIZWAWUXFRVDGY-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.83
Rot. Bonds6

About N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide (PubChem CID 46328736) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
PubChem CID46328736
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(COc1ccccc1)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1
InChIInChI=1S/C22H23N3O3S/c26-20(14-28-17-9-5-2-6-10-17)23-16-11-12-19-18(13-16)24-22(29-19)25-21(27)15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H,23,26)(H,24,25,27)
InChIKeyZIZWAWUXFRVDGY-UHFFFAOYSA-N
XLogP4.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[(2S)-2-phenoxypropanoyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 92870639
N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide
CID 46328705
N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride
CID 146057643
N-[5-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46328732
N-[5-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385432
N-[5-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385418
N-[5-[(3,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385413
3-chloro-N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]benzamide
CID 46328690
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925663
N-[5-(oxolan-2-ylmethylcarbamoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 20973278

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide (CID 46328736) is N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is O=C(COc1ccccc1)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1.
What is the InChIKey of N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is ZIZWAWUXFRVDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-20(14-28-17-9-5-2-6-10-17)23-16-11-12-19-18(13-16)24-22(29-19)25-21(27)15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H,23,26)(H,24,25,27).
What are the key properties of N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 46328736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).