N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide

C24H24N2O2S2 — CID 43035254

IUPACN-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2ccccc2SCc2ccsc2)C1
InChIInChI=1S/C24H24N2O2S2/c27-23(25-20-8-2-1-3-9-20)19-7-6-13-26(15-19)24(28)21-10-4-5-11-22(21)30-17-18-12-14-29-16-18/h1-5,8-12,14,16,19H,6-7,13,15,17H2,(H,25,27)
InChIKeySNABPSQUKBJHIG-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.53
Rot. Bonds6

About N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide

N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide (PubChem CID 43035254) has the molecular formula C24H24N2O2S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide
PubChem CID43035254
Molecular FormulaC24H24N2O2S2
Molecular Weight436.60 g/mol
Exact Mass436.13
IUPAC NameN-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2ccccc2SCc2ccsc2)C1
InChIInChI=1S/C24H24N2O2S2/c27-23(25-20-8-2-1-3-9-20)19-7-6-13-26(15-19)24(28)21-10-4-5-11-22(21)30-17-18-12-14-29-16-18/h1-5,8-12,14,16,19H,6-7,13,15,17H2,(H,25,27)
InChIKeySNABPSQUKBJHIG-UHFFFAOYSA-N
XLogP5.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(thiophen-3-ylmethylsulfanyl)phenyl]methanone
CID 24658604
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
(3S)-1-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperidine-3-carboxylic acid
CID 119113694
1-[2-[(4-fluorophenyl)methoxy]benzoyl]-N-phenylpiperidine-3-carboxamide
CID 16575119
(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 25401110
1-(2-oxo-1H-pyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 16872669
1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 24514591
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
(3S)-1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-3-carboxylic acid
CID 119173516
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide (CID 43035254) is N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)c2ccccc2SCc2ccsc2)C1.
What is the InChIKey of N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide?
The InChIKey is SNABPSQUKBJHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S2/c27-23(25-20-8-2-1-3-9-20)19-7-6-13-26(15-19)24(28)21-10-4-5-11-22(21)30-17-18-12-14-29-16-18/h1-5,8-12,14,16,19H,6-7,13,15,17H2,(H,25,27).
What are the key properties of N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide?
N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 43035254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).