N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide

C22H23N3O3S2 — CID 67927969

IUPACN-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide
SMILESO=C(NS(=O)(=O)c1nc(N(c2ccccc2)c2ccccc2)cs1)C1CCCCC1
InChIInChI=1S/C22H23N3O3S2/c26-21(17-10-4-1-5-11-17)24-30(27,28)22-23-20(16-29-22)25(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-17H,1,4-5,10-11H2,(H,24,26)
InChIKeyPFSRJBLLUXEGTR-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.00
Rot. Bonds6

About N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide

N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide (PubChem CID 67927969) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide
PubChem CID67927969
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC NameN-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide
SMILESO=C(NS(=O)(=O)c1nc(N(c2ccccc2)c2ccccc2)cs1)C1CCCCC1
InChIInChI=1S/C22H23N3O3S2/c26-21(17-10-4-1-5-11-17)24-30(27,28)22-23-20(16-29-22)25(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-17H,1,4-5,10-11H2,(H,24,26)
InChIKeyPFSRJBLLUXEGTR-UHFFFAOYSA-N
XLogP5.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-4-ylsulfonylcyclohexanecarboxamide
CID 71911683
2-(cyclohexylsulfamoyl)-1,3-thiazole-4-carboxylic acid
CID 90044718
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-thiophen-2-ylsulfonylcyclopropanecarboxamide
CID 47232134
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
CID 90626222
N-pyridin-2-ylsulfonylcyclopropanecarboxamide
CID 150675876
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 166232544
N-hydroxy-N-phenylcycloheptanecarboxamide
CID 131974748
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031

Frequently Asked Questions

What is the IUPAC name of N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide (CID 67927969) is N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide is O=C(NS(=O)(=O)c1nc(N(c2ccccc2)c2ccccc2)cs1)C1CCCCC1.
What is the InChIKey of N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide?
The InChIKey is PFSRJBLLUXEGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c26-21(17-10-4-1-5-11-17)24-30(27,28)22-23-20(16-29-22)25(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-17H,1,4-5,10-11H2,(H,24,26).
What are the key properties of N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide?
N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide has a molecular weight of 441.58 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(N-phenylanilino)-1,3-thiazol-2-yl]sulfonyl]cyclohexanecarboxamide is sourced from PubChem (CID 67927969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).