[4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate

C23H24N4O6S — CID 90688773

IUPAC[4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate
SMILESCC(=O)OC1CCC(c2ccc(NC(=O)c3nnc(NS(=O)(=O)c4ccccc4)o3)cc2)CC1
InChIInChI=1S/C23H24N4O6S/c1-15(28)32-19-13-9-17(10-14-19)16-7-11-18(12-8-16)24-21(29)22-25-26-23(33-22)27-34(30,31)20-5-3-2-4-6-20/h2-8,11-12,17,19H,9-10,13-14H2,1H3,(H,24,29)(H,26,27)
InChIKeyALKCYFCSEOVUFY-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.71
Rot. Bonds7

About [4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate

[4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate (PubChem CID 90688773) has the molecular formula C23H24N4O6S and a molecular weight of 484.53 g/mol. Its IUPAC name is [4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate.

Molecular Properties

Compound Name[4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate
PubChem CID90688773
Molecular FormulaC23H24N4O6S
Molecular Weight484.53 g/mol
Exact Mass484.14
IUPAC Name[4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate
SMILESCC(=O)OC1CCC(c2ccc(NC(=O)c3nnc(NS(=O)(=O)c4ccccc4)o3)cc2)CC1
InChIInChI=1S/C23H24N4O6S/c1-15(28)32-19-13-9-17(10-14-19)16-7-11-18(12-8-16)24-21(29)22-25-26-23(33-22)27-34(30,31)20-5-3-2-4-6-20/h2-8,11-12,17,19H,9-10,13-14H2,1H3,(H,24,29)(H,26,27)
InChIKeyALKCYFCSEOVUFY-UHFFFAOYSA-N
XLogP3.71
TPSA140.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[4-[4-[[5-[3-(benzenesulfonyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate
CID 69397895
2-[4-[4-[[5-(4-ethylsulfonylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68685352
2-[4-[4-[[5-(3-methylsulfonyloxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 87540024
2-[4-[4-[[5-(4-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68683617
(2S)-2-[4-[4-[[5-(4-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]propanoic acid
CID 68681989
2-[4-[4-[[5-[2-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68683346
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]phenyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 68685545
N-[4-[4-(aminomethyl)cyclohexyl]phenyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464165
2-[4-[4-[[5-[4-[(2-methylpropan-2-yl)oxy]anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68686095
5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 59464071
methyl (2R)-1-[2-[4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetyl]-2-methylpyrrolidin-1-ium-1-carboxylate
CID 91417316
2-[4-[4-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68682332

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate?
The IUPAC name of [4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate (CID 90688773) is [4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate.
What is the SMILES notation for [4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate?
The canonical SMILES for [4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate is CC(=O)OC1CCC(c2ccc(NC(=O)c3nnc(NS(=O)(=O)c4ccccc4)o3)cc2)CC1.
What is the InChIKey of [4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate?
The InChIKey is ALKCYFCSEOVUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6S/c1-15(28)32-19-13-9-17(10-14-19)16-7-11-18(12-8-16)24-21(29)22-25-26-23(33-22)27-34(30,31)20-5-3-2-4-6-20/h2-8,11-12,17,19H,9-10,13-14H2,1H3,(H,24,29)(H,26,27).
What are the key properties of [4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate?
[4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate has a molecular weight of 484.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[5-(benzenesulfonamido)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate is sourced from PubChem (CID 90688773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).