5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide

C25H29N5O4S — CID 92895596

IUPAC5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H29N5O4S/c1-17-8-9-20(23-26-24(34-27-23)19-10-11-19)16-22(17)35(32,33)28-18(2)25(31)30-14-12-29(13-15-30)21-6-4-3-5-7-21/h3-9,16,18-19,28H,10-15H2,1-2H3/t18-/m1/s1
InChIKeyQCLIVMARGXFIQZ-GOSISDBHSA-N
MW495.61 g/mol
LogP2.94
Rot. Bonds7

About 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide

5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide (PubChem CID 92895596) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
PubChem CID92895596
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H29N5O4S/c1-17-8-9-20(23-26-24(34-27-23)19-10-11-19)16-22(17)35(32,33)28-18(2)25(31)30-14-12-29(13-15-30)21-6-4-3-5-7-21/h3-9,16,18-19,28H,10-15H2,1-2H3/t18-/m1/s1
InChIKeyQCLIVMARGXFIQZ-GOSISDBHSA-N
XLogP2.94
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-2-methylbenzenesulfonamide
CID 50823583
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzenesulfonamide
CID 50823515
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide
CID 92895603
(2R)-N-cycloheptyl-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 92880619
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 92880630
N-(3-chloro-4-methylphenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823775
N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823627
2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 50823581
N-(2-chloro-4-fluorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823628
2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 50823584
N-[(2R)-1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 95063527
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 50808351

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide (CID 92895596) is 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide is Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is QCLIVMARGXFIQZ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-17-8-9-20(23-26-24(34-27-23)19-10-11-19)16-22(17)35(32,33)28-18(2)25(31)30-14-12-29(13-15-30)21-6-4-3-5-7-21/h3-9,16,18-19,28H,10-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 495.61 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 92895596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).