1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea

C14H18N2OS — CID 21469690

IUPAC1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea
SMILESCCc1ccc2scc(CCNC(=O)NC)c2c1
InChIInChI=1S/C14H18N2OS/c1-3-10-4-5-13-12(8-10)11(9-18-13)6-7-16-14(17)15-2/h4-5,8-9H,3,6-7H2,1-2H3,(H2,15,16,17)
InChIKeySOGBJYMZOQSKKA-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.94
Rot. Bonds4

About 1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea

1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea (PubChem CID 21469690) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea
PubChem CID21469690
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea
SMILESCCc1ccc2scc(CCNC(=O)NC)c2c1
InChIInChI=1S/C14H18N2OS/c1-3-10-4-5-13-12(8-10)11(9-18-13)6-7-16-14(17)15-2/h4-5,8-9H,3,6-7H2,1-2H3,(H2,15,16,17)
InChIKeySOGBJYMZOQSKKA-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea (CID 21469690) is 1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea is CCc1ccc2scc(CCNC(=O)NC)c2c1.
What is the InChIKey of 1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea?
The InChIKey is SOGBJYMZOQSKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-10-4-5-13-12(8-10)11(9-18-13)6-7-16-14(17)15-2/h4-5,8-9H,3,6-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea?
1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea has a molecular weight of 262.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea is sourced from PubChem (CID 21469690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).