N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide

C24H29N3O3S2 — CID 75856643

IUPACN-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCSc2nnc(C3CCCCC3)o2)c2ccccc2)cc1
InChIInChI=1S/C24H29N3O3S2/c1-18-12-14-21(15-13-18)32(28,29)27-22(19-8-4-2-5-9-19)16-17-31-24-26-25-23(30-24)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,20,22,27H,3,6-7,10-11,16-17H2,1H3
InChIKeyHVMYCRCXLGAJIM-UHFFFAOYSA-N
MW471.65 g/mol
LogP5.63
Rot. Bonds9

About N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide

N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide (PubChem CID 75856643) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide
PubChem CID75856643
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC NameN-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCSc2nnc(C3CCCCC3)o2)c2ccccc2)cc1
InChIInChI=1S/C24H29N3O3S2/c1-18-12-14-21(15-13-18)32(28,29)27-22(19-8-4-2-5-9-19)16-17-31-24-26-25-23(30-24)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,20,22,27H,3,6-7,10-11,16-17H2,1H3
InChIKeyHVMYCRCXLGAJIM-UHFFFAOYSA-N
XLogP5.63
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-cyclopropylimidazol-2-yl)sulfanyl-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 55508857
4-methyl-N-[(1R)-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]benzenesulfonamide
CID 39967175
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
CID 152503716
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
4-methyl-N-[1-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propyl]benzenesulfonamide
CID 18130922
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
N-[(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethyl]-4-methylbenzenesulfonamide
CID 11360845
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide
CID 101180255
tert-butyl (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 11025192

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide (CID 75856643) is N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CCSc2nnc(C3CCCCC3)o2)c2ccccc2)cc1.
What is the InChIKey of N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is HVMYCRCXLGAJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-18-12-14-21(15-13-18)32(28,29)27-22(19-8-4-2-5-9-19)16-17-31-24-26-25-23(30-24)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,20,22,27H,3,6-7,10-11,16-17H2,1H3.
What are the key properties of N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide?
N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 471.65 g/mol, XLogP of 5.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 75856643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).