N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

C19H22N4O4S2 — CID 46379237

IUPACN-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1
InChIInChI=1S/C19H22N4O4S2/c1-11-17(12(2)27-22-11)29(25,26)23-14-8-9-16-15(10-14)20-19(28-16)21-18(24)13-6-4-3-5-7-13/h8-10,13,23H,3-7H2,1-2H3,(H,20,21,24)
InChIKeyRZOVMOVZJJPQJX-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.22
Rot. Bonds5

About N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide (PubChem CID 46379237) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
PubChem CID46379237
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC NameN-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1
InChIInChI=1S/C19H22N4O4S2/c1-11-17(12(2)27-22-11)29(25,26)23-14-8-9-16-15(10-14)20-19(28-16)21-18(24)13-6-4-3-5-7-13/h8-10,13,23H,3-7H2,1-2H3,(H,20,21,24)
InChIKeyRZOVMOVZJJPQJX-UHFFFAOYSA-N
XLogP4.22
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(2,5-dimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 20971965
N-[5-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 20971949
N-[5-[(3,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385413
N-[5-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385418
N-[5-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971882
N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride
CID 146057643
N-[5-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385432
N-[5-(oxolan-2-ylmethylcarbamoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 20973278
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide
CID 46328705
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
CID 20971886
N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide (CID 46379237) is N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1.
What is the InChIKey of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is RZOVMOVZJJPQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-11-17(12(2)27-22-11)29(25,26)23-14-8-9-16-15(10-14)20-19(28-16)21-18(24)13-6-4-3-5-7-13/h8-10,13,23H,3-7H2,1-2H3,(H,20,21,24).
What are the key properties of N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 46379237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).