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

C18H25N3O3S2 — CID 154834545

IUPAC1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
SMILESCCS(=O)(=O)N1CCC(NC(=O)NC(C)c2csc3ccccc23)CC1
InChIInChI=1S/C18H25N3O3S2/c1-3-26(23,24)21-10-8-14(9-11-21)20-18(22)19-13(2)16-12-25-17-7-5-4-6-15(16)17/h4-7,12-14H,3,8-11H2,1-2H3,(H2,19,20,22)
InChIKeyUDDJAQUWGDGVTL-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.08
Rot. Bonds5

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

1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea (PubChem CID 154834545) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
PubChem CID154834545
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
SMILESCCS(=O)(=O)N1CCC(NC(=O)NC(C)c2csc3ccccc23)CC1
InChIInChI=1S/C18H25N3O3S2/c1-3-26(23,24)21-10-8-14(9-11-21)20-18(22)19-13(2)16-12-25-17-7-5-4-6-15(16)17/h4-7,12-14H,3,8-11H2,1-2H3,(H2,19,20,22)
InChIKeyUDDJAQUWGDGVTL-UHFFFAOYSA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 42954561
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
1-[1-(1-benzothiophen-3-yl)ethyl]-3-(2-oxoazepan-3-yl)urea
CID 56781503
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
N-[1-(1-benzothiophen-3-yl)ethyl]prop-2-enamide
CID 139021172
(2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97204222
1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 86999613
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 115286975
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42886348

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea (CID 154834545) is 1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea is CCS(=O)(=O)N1CCC(NC(=O)NC(C)c2csc3ccccc23)CC1.
What is the InChIKey of 1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The InChIKey is UDDJAQUWGDGVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-3-26(23,24)21-10-8-14(9-11-21)20-18(22)19-13(2)16-12-25-17-7-5-4-6-15(16)17/h4-7,12-14H,3,8-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea?
1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea has a molecular weight of 395.55 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 154834545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).