N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide

C20H19ClN4O2S — CID 18575519

IUPACN'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)cc1Cl
InChIInChI=1S/C20H19ClN4O2S/c1-13-7-8-15(11-16(13)21)24-19(27)18(26)22-9-10-28-20-23-12-17(25-20)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyWVOZUQJMYIWBAV-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.89
Rot. Bonds6

About N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide

N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide (PubChem CID 18575519) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
PubChem CID18575519
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)cc1Cl
InChIInChI=1S/C20H19ClN4O2S/c1-13-7-8-15(11-16(13)21)24-19(27)18(26)22-9-10-28-20-23-12-17(25-20)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyWVOZUQJMYIWBAV-UHFFFAOYSA-N
XLogP3.89
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(1,3-benzodioxol-5-yl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
CID 7184740
N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 856403
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577
N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896869
3,4-difluoro-N-[2-[[5-(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575390
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N-butan-2-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 42944884
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]oxamide
CID 96530973
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648629

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide (CID 18575519) is N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide?
The InChIKey is WVOZUQJMYIWBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-13-7-8-15(11-16(13)21)24-19(27)18(26)22-9-10-28-20-23-12-17(25-20)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide has a molecular weight of 414.92 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide is sourced from PubChem (CID 18575519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).