2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide

C25H19N3O2S2 — CID 123877346

IUPAC2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide
SMILESCc1ccc(-c2cc(-c3cccs3)nc(SC(C(=O)NO)c3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H19N3O2S2/c1-16-9-11-17(12-10-16)19-14-21(22-8-5-13-31-22)27-25(20(19)15-26)32-23(24(29)28-30)18-6-3-2-4-7-18/h2-14,23,30H,1H3,(H,28,29)
InChIKeyUTCRHWYMSUDPIP-UHFFFAOYSA-N
MW457.58 g/mol
LogP6.00
Rot. Bonds6

About 2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide

2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide (PubChem CID 123877346) has the molecular formula C25H19N3O2S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide
PubChem CID123877346
Molecular FormulaC25H19N3O2S2
Molecular Weight457.58 g/mol
Exact Mass457.09
IUPAC Name2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide
SMILESCc1ccc(-c2cc(-c3cccs3)nc(SC(C(=O)NO)c3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H19N3O2S2/c1-16-9-11-17(12-10-16)19-14-21(22-8-5-13-31-22)27-25(20(19)15-26)32-23(24(29)28-30)18-6-3-2-4-7-18/h2-14,23,30H,1H3,(H,28,29)
InChIKeyUTCRHWYMSUDPIP-UHFFFAOYSA-N
XLogP6.00
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide with MolForge

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Related Compounds

2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 2962037
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid
CID 5120722
ethyl 2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]propanoate
CID 3960465
(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-phenylacetamide
CID 97292555
methyl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 1035693
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 6984680
2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393
ethyl 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 143568553
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739
propan-2-yl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 5120735
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanoic acid
CID 53270290
(2R)-2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]propanamide
CID 99129928

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide?
The IUPAC name of 2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide (CID 123877346) is 2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide is Cc1ccc(-c2cc(-c3cccs3)nc(SC(C(=O)NO)c3ccccc3)c2C#N)cc1.
What is the InChIKey of 2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide?
The InChIKey is UTCRHWYMSUDPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S2/c1-16-9-11-17(12-10-16)19-14-21(22-8-5-13-31-22)27-25(20(19)15-26)32-23(24(29)28-30)18-6-3-2-4-7-18/h2-14,23,30H,1H3,(H,28,29).
What are the key properties of 2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide?
2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide has a molecular weight of 457.58 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 123877346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).