1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide

C20H22ClN3O2S — CID 2399698

IUPAC1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2S/c21-15-5-7-16(8-6-15)27-18-4-2-1-3-17(18)23-19(25)13-24-11-9-14(10-12-24)20(22)26/h1-8,14H,9-13H2,(H2,22,26)(H,23,25)
InChIKeyAQUDLCMAQMYOBE-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.63
Rot. Bonds6

About 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 2399698) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID2399698
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2S/c21-15-5-7-16(8-6-15)27-18-4-2-1-3-17(18)23-19(25)13-24-11-9-14(10-12-24)20(22)26/h1-8,14H,9-13H2,(H2,22,26)(H,23,25)
InChIKeyAQUDLCMAQMYOBE-UHFFFAOYSA-N
XLogP3.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pipamazine
CID 6761
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (4-fluoro-3-trifluoromethyl-phenyl)-amide
CID 44271202
4-(2-chloro-10H-phenothiazin-10-yl)-4-oxobutan-1-amine
CID 2900517
1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 44271377
1-[2-Oxo-2-(2-phenylsulfanylanilino)ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 1253419
1-[2-Oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 2400416
N-(4-chloro-2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 2548632
1-(2-chloro-10H-phenothiazin-10-yl)-2-(dimethylamino)ethanone hydrochloride
CID 2938465
2-(4-acetylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 3966874
2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 4043438
N-[(2-Chlorophenyl)methyl]-4-(3,4-dihydro-2H-1,4-benzothiazin-4-YL)-4-oxobutanamide
CID 16011461
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 17503094

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide (CID 2399698) is 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is AQUDLCMAQMYOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c21-15-5-7-16(8-6-15)27-18-4-2-1-3-17(18)23-19(25)13-24-11-9-14(10-12-24)20(22)26/h1-8,14H,9-13H2,(H2,22,26)(H,23,25).
What are the key properties of 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 403.94 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2399698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).