4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide

C18H24N2O4S — CID 136536764

IUPAC4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide
SMILESCCS(=O)(=O)C1CCN(C(=O)NCc2oc3ccccc3c2C)CC1
InChIInChI=1S/C18H24N2O4S/c1-3-25(22,23)14-8-10-20(11-9-14)18(21)19-12-17-13(2)15-6-4-5-7-16(15)24-17/h4-7,14H,3,8-12H2,1-2H3,(H,19,21)
InChIKeyAGPGRZRJXXNFTC-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.85
Rot. Bonds4

About 4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide

4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 136536764) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide
PubChem CID136536764
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide
SMILESCCS(=O)(=O)C1CCN(C(=O)NCc2oc3ccccc3c2C)CC1
InChIInChI=1S/C18H24N2O4S/c1-3-25(22,23)14-8-10-20(11-9-14)18(21)19-12-17-13(2)15-6-4-5-7-16(15)24-17/h4-7,14H,3,8-12H2,1-2H3,(H,19,21)
InChIKeyAGPGRZRJXXNFTC-UHFFFAOYSA-N
XLogP2.85
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111603464
3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119789555
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide
CID 99839363
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 135089831
N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
CID 56747250
N-ethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]pyrrolidine-1-carboxamide
CID 166532637
1-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119327004
2-[4-(2-methylpropylsulfonyl)piperidine-1-carbonyl]chromen-4-one
CID 90590040
1-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
CID 111603131

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide (CID 136536764) is 4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide is CCS(=O)(=O)C1CCN(C(=O)NCc2oc3ccccc3c2C)CC1.
What is the InChIKey of 4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is AGPGRZRJXXNFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-3-25(22,23)14-8-10-20(11-9-14)18(21)19-12-17-13(2)15-6-4-5-7-16(15)24-17/h4-7,14H,3,8-12H2,1-2H3,(H,19,21).
What are the key properties of 4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide?
4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 136536764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).