N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide

C19H14ClN3O2S — CID 108515125

IUPACN-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C19H14ClN3O2S/c20-17-15(10-6-12-21-17)23-19(25)18(24)22-14-9-4-5-11-16(14)26-13-7-2-1-3-8-13/h1-12H,(H,22,24)(H,23,25)
InChIKeyHDSMJPNMILDQRS-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.46
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide

N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide (PubChem CID 108515125) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
PubChem CID108515125
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC NameN-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C19H14ClN3O2S/c20-17-15(10-6-12-21-17)23-19(25)18(24)22-14-9-4-5-11-16(14)26-13-7-2-1-3-8-13/h1-12H,(H,22,24)(H,23,25)
InChIKeyHDSMJPNMILDQRS-UHFFFAOYSA-N
XLogP4.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108515122
N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515224
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide
CID 44999763
N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515097
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515250
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229
N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108501172
N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515146
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide (CID 108515125) is N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide is O=C(Nc1ccccc1Sc1ccccc1)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The InChIKey is HDSMJPNMILDQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c20-17-15(10-6-12-21-17)23-19(25)18(24)22-14-9-4-5-11-16(14)26-13-7-2-1-3-8-13/h1-12H,(H,22,24)(H,23,25).
What are the key properties of N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide?
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide has a molecular weight of 383.86 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide is sourced from PubChem (CID 108515125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).