1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide

C20H23N3O2S — CID 17417342

IUPAC1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1CC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H23N3O2S/c21-20(25)17-11-6-7-13-23(17)14-19(24)22-16-10-4-5-12-18(16)26-15-8-2-1-3-9-15/h1-5,8-10,12,17H,6-7,11,13-14H2,(H2,21,25)(H,22,24)
InChIKeyBNKSRUZDAMQQKB-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.12
Rot. Bonds6

About 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide

1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide (PubChem CID 17417342) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide
PubChem CID17417342
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1CC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H23N3O2S/c21-20(25)17-11-6-7-13-23(17)14-19(24)22-16-10-4-5-12-18(16)26-15-8-2-1-3-9-15/h1-5,8-10,12,17H,6-7,11,13-14H2,(H2,21,25)(H,22,24)
InChIKeyBNKSRUZDAMQQKB-UHFFFAOYSA-N
XLogP3.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
(2R)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-2-carboxamide
CID 41075375
1-[2-(2-fluoroanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563162
1-[2-(2-iodoanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564340
1-phenacylpiperidine-2-carboxamide
CID 60681003
1-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]piperidine-2-carboxamide
CID 42914018
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
(2R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40987938
2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 55988345
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] pyrrolidine-1-carbodithioate
CID 7607354
(2S)-1-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 40813358
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide (CID 17417342) is 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1CC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide?
The InChIKey is BNKSRUZDAMQQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c21-20(25)17-11-6-7-13-23(17)14-19(24)22-16-10-4-5-12-18(16)26-15-8-2-1-3-9-15/h1-5,8-10,12,17H,6-7,11,13-14H2,(H2,21,25)(H,22,24).
What are the key properties of 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide?
1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 17417342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).