4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide

C21H24N4O3S — CID 18209184

IUPAC4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
SMILESCSc1ccc(NC(=O)CON=C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-29-19-9-7-17(8-10-19)22-20(26)15-28-24-18-11-13-25(14-12-18)21(27)23-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyMYHWNRWOORQNHE-UHFFFAOYSA-N
MW412.52 g/mol
LogP4.05
Rot. Bonds6

About 4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide

4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide (PubChem CID 18209184) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
PubChem CID18209184
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
SMILESCSc1ccc(NC(=O)CON=C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-29-19-9-7-17(8-10-19)22-20(26)15-28-24-18-11-13-25(14-12-18)21(27)23-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyMYHWNRWOORQNHE-UHFFFAOYSA-N
XLogP4.05
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 18206718
4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623620
4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623661
4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623627
4-(2-oxo-2-piperidin-1-ylethoxy)imino-N-phenylpiperidine-1-carboxamide
CID 24623645
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide
CID 24623669
4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide
CID 18226822
4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094225
N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide
CID 46485144
4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 23071923
2-[1-[(4-methylsulfanylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618401
2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 24581463

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide (CID 18209184) is 4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide is CSc1ccc(NC(=O)CON=C2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The InChIKey is MYHWNRWOORQNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-29-19-9-7-17(8-10-19)22-20(26)15-28-24-18-11-13-25(14-12-18)21(27)23-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 18209184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).