1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea

C17H22N2OS — CID 112831578

IUPAC1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
SMILESO=C(NCCc1csc2ccccc12)NC1CCCCC1
InChIInChI=1S/C17H22N2OS/c20-17(19-14-6-2-1-3-7-14)18-11-10-13-12-21-16-9-5-4-8-15(13)16/h4-5,8-9,12,14H,1-3,6-7,10-11H2,(H2,18,19,20)
InChIKeyRUMXMFJAZLDFEW-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.08
Rot. Bonds4

About 1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea

1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea (PubChem CID 112831578) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
PubChem CID112831578
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
SMILESO=C(NCCc1csc2ccccc12)NC1CCCCC1
InChIInChI=1S/C17H22N2OS/c20-17(19-14-6-2-1-3-7-14)18-11-10-13-12-21-16-9-5-4-8-15(13)16/h4-5,8-9,12,14H,1-3,6-7,10-11H2,(H2,18,19,20)
InChIKeyRUMXMFJAZLDFEW-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 86999613
N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
CID 87005605
1-[2-(1-benzothiophen-3-yl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)urea
CID 71969146
1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296493
N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296484
N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119296481
1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
CID 110748890
1-[2-(1-benzothiophen-3-yl)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 112834711
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
N-[2-(1-benzothiophen-3-yl)ethyl]adamantane-1-carboxamide
CID 112836999
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
2-(1-benzothiophen-3-yl)-1-cyclooctylethanone
CID 80602136

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea (CID 112831578) is 1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea is O=C(NCCc1csc2ccccc12)NC1CCCCC1.
What is the InChIKey of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea?
The InChIKey is RUMXMFJAZLDFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c20-17(19-14-6-2-1-3-7-14)18-11-10-13-12-21-16-9-5-4-8-15(13)16/h4-5,8-9,12,14H,1-3,6-7,10-11H2,(H2,18,19,20).
What are the key properties of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea?
1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea has a molecular weight of 302.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea is sourced from PubChem (CID 112831578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).