(3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide

C22H26F2N6O3S — CID 126508476

IUPAC(3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide
SMILESCc1cccc(N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)S(=O)(=O)N2CCN(C)[C@H](C)C2)c1
InChIInChI=1S/C22H26F2N6O3S/c1-15-5-4-6-19(11-15)30(34(31,32)29-10-9-28(3)16(2)13-29)14-18-8-7-17(12-25-18)21-26-27-22(33-21)20(23)24/h4-8,11-12,16,20H,9-10,13-14H2,1-3H3/t16-/m1/s1
InChIKeyJPHACPVWDBCQAZ-MRXNPFEDSA-N
MW492.55 g/mol
LogP3.26
Rot. Bonds7

About (3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide

(3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide (PubChem CID 126508476) has the molecular formula C22H26F2N6O3S and a molecular weight of 492.55 g/mol. Its IUPAC name is (3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide
PubChem CID126508476
Molecular FormulaC22H26F2N6O3S
Molecular Weight492.55 g/mol
Exact Mass492.18
IUPAC Name(3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide
SMILESCc1cccc(N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)S(=O)(=O)N2CCN(C)[C@H](C)C2)c1
InChIInChI=1S/C22H26F2N6O3S/c1-15-5-4-6-19(11-15)30(34(31,32)29-10-9-28(3)16(2)13-29)14-18-8-7-17(12-25-18)21-26-27-22(33-21)20(23)24/h4-8,11-12,16,20H,9-10,13-14H2,1-3H3/t16-/m1/s1
InChIKeyJPHACPVWDBCQAZ-MRXNPFEDSA-N
XLogP3.26
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide with MolForge

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Related Compounds

Dimethyl-[4-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-amine
CID 865622
N-[[5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]benzamide
CID 145961199
N-(3-chloro-4-fluorophenyl)-4-(oxetan-3-yl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide
CID 168293360
US10464911, Example 54
CID 126506958
US10464911, Example 71
CID 126507175
US10464911, Example 35
CID 126507200
US10464911, Example 38
CID 126507754
US10464911, Example 55
CID 126507833
US10464911, Example 69
CID 126507871
US10464911, Example 33
CID 126507917
US10464911, Example 30
CID 126508037
US10464911, Example 29
CID 126508201

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide?
The IUPAC name of (3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide (CID 126508476) is (3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide.
What is the SMILES notation for (3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide?
The canonical SMILES for (3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide is Cc1cccc(N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)S(=O)(=O)N2CCN(C)[C@H](C)C2)c1.
What is the InChIKey of (3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide?
The InChIKey is JPHACPVWDBCQAZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26F2N6O3S/c1-15-5-4-6-19(11-15)30(34(31,32)29-10-9-28(3)16(2)13-29)14-18-8-7-17(12-25-18)21-26-27-22(33-21)20(23)24/h4-8,11-12,16,20H,9-10,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide?
(3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide has a molecular weight of 492.55 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethyl-N-(3-methylphenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 126508476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).