N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C17H22N2O4S — CID 51321017

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O4S/c1-12(16-11-14-5-3-4-6-15(14)23-16)18-17(20)13-7-9-19(10-8-13)24(2,21)22/h3-6,11-13H,7-10H2,1-2H3,(H,18,20)
InChIKeyLOBALNDMBNXAQE-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.28
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 51321017) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID51321017
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O4S/c1-12(16-11-14-5-3-4-6-15(14)23-16)18-17(20)13-7-9-19(10-8-13)24(2,21)22/h3-6,11-13H,7-10H2,1-2H3,(H,18,20)
InChIKeyLOBALNDMBNXAQE-UHFFFAOYSA-N
XLogP2.28
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[1-(1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 55389739
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
methyl 2-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 39966547
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 97414297
tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 46612716
N-[1-(1-benzofuran-2-yl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46642653
N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-bromophenyl)sulfonylpiperidine-3-carboxamide
CID 46696379
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983901
1-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011259
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9367840
(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272386

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 51321017) is N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is CC(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is LOBALNDMBNXAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-12(16-11-14-5-3-4-6-15(14)23-16)18-17(20)13-7-9-19(10-8-13)24(2,21)22/h3-6,11-13H,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 51321017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).