1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide

C21H28N2O5S — CID 55690489

IUPAC1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN(Cc1ccco1)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2O5S/c1-27-15-13-22(16-20-8-5-14-28-20)21(24)19-9-11-23(12-10-19)29(25,26)17-18-6-3-2-4-7-18/h2-8,14,19H,9-13,15-17H2,1H3
InChIKeyBCRYFUJHEVECIQ-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.50
Rot. Bonds9

About 1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide

1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 55690489) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID55690489
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN(Cc1ccco1)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2O5S/c1-27-15-13-22(16-20-8-5-14-28-20)21(24)19-9-11-23(12-10-19)29(25,26)17-18-6-3-2-4-7-18/h2-8,14,19H,9-13,15-17H2,1H3
InChIKeyBCRYFUJHEVECIQ-UHFFFAOYSA-N
XLogP2.50
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 3924733
N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27826689
1-benzylsulfonyl-N-ethyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55690537
1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide
CID 55689168
2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911798
3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82323935
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
1-(2,6-dichlorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)piperidine-4-carboxamide
CID 55348756
1-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 70703147

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 55690489) is 1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCN(Cc1ccco1)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is BCRYFUJHEVECIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-27-15-13-22(16-20-8-5-14-28-20)21(24)19-9-11-23(12-10-19)29(25,26)17-18-6-3-2-4-7-18/h2-8,14,19H,9-13,15-17H2,1H3.
What are the key properties of 1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55690489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).