N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H22N2O4S — CID 42886348

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2Cc3ccccc3O2)CC1
InChIInChI=1S/C16H22N2O4S/c1-2-23(20,21)18-9-7-13(8-10-18)17-16(19)15-11-12-5-3-4-6-14(12)22-15/h3-6,13,15H,2,7-11H2,1H3,(H,17,19)
InChIKeyMFZUEDFVLFOCBR-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.92
Rot. Bonds4

About N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 42886348) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID42886348
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2Cc3ccccc3O2)CC1
InChIInChI=1S/C16H22N2O4S/c1-2-23(20,21)18-9-7-13(8-10-18)17-16(19)15-11-12-5-3-4-6-14(12)22-15/h3-6,13,15H,2,7-11H2,1H3,(H,17,19)
InChIKeyMFZUEDFVLFOCBR-UHFFFAOYSA-N
XLogP0.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
CID 94812936
4-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 50947908
3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032698
N-(5-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107585077
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 47024868
ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate
CID 55821307
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
(2R)-4-acetyl-N-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51934193

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 42886348) is N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)C2Cc3ccccc3O2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is MFZUEDFVLFOCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-2-23(20,21)18-9-7-13(8-10-18)17-16(19)15-11-12-5-3-4-6-14(12)22-15/h3-6,13,15H,2,7-11H2,1H3,(H,17,19).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42886348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).