N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide

C24H25ClN4O3S — CID 138392484

IUPACN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide
SMILESCc1ccc(-c2nc(C#N)c(S(=O)(=O)NCC(c3ccc(Cl)cc3)N3CCCCC3)o2)cc1
InChIInChI=1S/C24H25ClN4O3S/c1-17-5-7-19(8-6-17)23-28-21(15-26)24(32-23)33(30,31)27-16-22(29-13-3-2-4-14-29)18-9-11-20(25)12-10-18/h5-12,22,27H,2-4,13-14,16H2,1H3
InChIKeyCBNGWFBSTYNGEZ-UHFFFAOYSA-N
MW485.01 g/mol
LogP4.68
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide

N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide (PubChem CID 138392484) has the molecular formula C24H25ClN4O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide
PubChem CID138392484
Molecular FormulaC24H25ClN4O3S
Molecular Weight485.01 g/mol
Exact Mass484.13
IUPAC NameN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide
SMILESCc1ccc(-c2nc(C#N)c(S(=O)(=O)NCC(c3ccc(Cl)cc3)N3CCCCC3)o2)cc1
InChIInChI=1S/C24H25ClN4O3S/c1-17-5-7-19(8-6-17)23-28-21(15-26)24(32-23)33(30,31)27-16-22(29-13-3-2-4-14-29)18-9-11-20(25)12-10-18/h5-12,22,27H,2-4,13-14,16H2,1H3
InChIKeyCBNGWFBSTYNGEZ-UHFFFAOYSA-N
XLogP4.68
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 34925081
5-[(4-chlorophenyl)methylsulfonyl]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 91901034
2-(4-methylphenyl)-5-[[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35180679
2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35345526
2,3,4-trifluoro-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 71881748
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 46300085
methyl 5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]-2-phenyl-1,3-oxazole-4-carboxylate
CID 155809301
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
2-(4-chlorophenyl)-5-(3-methylpiperidin-1-yl)sulfonyl-1,3-oxazole-4-carbonitrile
CID 139582251
2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 139582550
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-(4-bromophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 171336580

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide (CID 138392484) is N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide is Cc1ccc(-c2nc(C#N)c(S(=O)(=O)NCC(c3ccc(Cl)cc3)N3CCCCC3)o2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide?
The InChIKey is CBNGWFBSTYNGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3S/c1-17-5-7-19(8-6-17)23-28-21(15-26)24(32-23)33(30,31)27-16-22(29-13-3-2-4-14-29)18-9-11-20(25)12-10-18/h5-12,22,27H,2-4,13-14,16H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide?
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide has a molecular weight of 485.01 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-cyano-2-(4-methylphenyl)-1,3-oxazole-5-sulfonamide is sourced from PubChem (CID 138392484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).