1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea

C18H25N3O4S — CID 43061422

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
SMILESCCS(=O)(=O)N1CCC(NC(=O)NC(C)c2cc3ccccc3o2)CC1
InChIInChI=1S/C18H25N3O4S/c1-3-26(23,24)21-10-8-15(9-11-21)20-18(22)19-13(2)17-12-14-6-4-5-7-16(14)25-17/h4-7,12-13,15H,3,8-11H2,1-2H3,(H2,19,20,22)
InChIKeyAULJKDUUQXUJCQ-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.61
Rot. Bonds5

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea

1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea (PubChem CID 43061422) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
PubChem CID43061422
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
SMILESCCS(=O)(=O)N1CCC(NC(=O)NC(C)c2cc3ccccc3o2)CC1
InChIInChI=1S/C18H25N3O4S/c1-3-26(23,24)21-10-8-15(9-11-21)20-18(22)19-13(2)17-12-14-6-4-5-7-16(14)25-17/h4-7,12-13,15H,3,8-11H2,1-2H3,(H2,19,20,22)
InChIKeyAULJKDUUQXUJCQ-UHFFFAOYSA-N
XLogP2.61
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea with MolForge

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Related Compounds

Methanesulfonamide, N-(2-((2R,12bs)-1,3,4,6,7,12b-hexahydro-2'-oxospiro(2H-benzofuro(2,3-a)quinolizine-2,4'-imidazolidin)-3'-yl)ethyl)-, hydrochloride (1:1)
CID 182976
Vatinoxan
CID 163952
3-{[1-(1-Benzofuran-2-yl)ethyl]amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454421
N-cyclopropylsulfonyl-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 49778630
1-(1-benzofuran-2-ylmethyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 49790455
N-[1-(1-benzofuran-2-yl)ethyl]benzamide
CID 17479617
N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 17519291
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24605844
N-[[1-(1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 45817002
N-[1-(1-benzofuran-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 45846900
1-(1-benzofuran-2-ylmethyl)-N-ethyl-3-methylpiperidine-3-carboxamide
CID 49786779
3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)-N-propylsulfonylpiperidine-3-carboxamide
CID 49790356

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea (CID 43061422) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea is CCS(=O)(=O)N1CCC(NC(=O)NC(C)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The InChIKey is AULJKDUUQXUJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-3-26(23,24)21-10-8-15(9-11-21)20-18(22)19-13(2)17-12-14-6-4-5-7-16(14)25-17/h4-7,12-13,15H,3,8-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea has a molecular weight of 379.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 43061422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).