1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide

C20H24Cl2N2O4S — CID 53282732

IUPAC1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCc1ccco1)C1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C20H24Cl2N2O4S/c21-18-8-1-9-19(22)17(18)14-29(26,27)24-11-3-5-15(13-24)20(25)23-10-2-6-16-7-4-12-28-16/h1,4,7-9,12,15H,2-3,5-6,10-11,13-14H2,(H,23,25)
InChIKeyVNNQSLVPVXNAER-UHFFFAOYSA-N
MW459.40 g/mol
LogP3.88
Rot. Bonds8

About 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide

1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide (PubChem CID 53282732) has the molecular formula C20H24Cl2N2O4S and a molecular weight of 459.40 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide
PubChem CID53282732
Molecular FormulaC20H24Cl2N2O4S
Molecular Weight459.40 g/mol
Exact Mass458.08
IUPAC Name1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCc1ccco1)C1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C20H24Cl2N2O4S/c21-18-8-1-9-19(22)17(18)14-29(26,27)24-11-3-5-15(13-24)20(25)23-10-2-6-16-7-4-12-28-16/h1,4,7-9,12,15H,2-3,5-6,10-11,13-14H2,(H,23,25)
InChIKeyVNNQSLVPVXNAER-UHFFFAOYSA-N
XLogP3.88
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide
CID 100671897
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-4-carboxamide
CID 53283985
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide
CID 133240639
(3S)-N-[3-(2-chlorophenyl)propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 95119030
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133189194
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[2-(2,4-dimethylphenoxy)ethyl]piperidine-3-carboxamide
CID 133164371
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-3-carboxamide
CID 133165247
1-[(4-bromophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-4-carboxamide
CID 53283991
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-3-carboxamide
CID 125072573
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 100504416
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92641834
N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 53286121

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide (CID 53282732) is 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide is O=C(NCCCc1ccco1)C1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide?
The InChIKey is VNNQSLVPVXNAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O4S/c21-18-8-1-9-19(22)17(18)14-29(26,27)24-11-3-5-15(13-24)20(25)23-10-2-6-16-7-4-12-28-16/h1,4,7-9,12,15H,2-3,5-6,10-11,13-14H2,(H,23,25).
What are the key properties of 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide?
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide has a molecular weight of 459.40 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[3-(furan-2-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 53282732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).