3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea

C19H21N3OS — CID 75377695

IUPAC3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea
SMILESCCN(Cc1ccccn1)C(=O)NC(C)c1csc2ccccc12
InChIInChI=1S/C19H21N3OS/c1-3-22(12-15-8-6-7-11-20-15)19(23)21-14(2)17-13-24-18-10-5-4-9-16(17)18/h4-11,13-14H,3,12H2,1-2H3,(H,21,23)
InChIKeyUAJISRAQNNPBCB-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.59
Rot. Bonds5

About 3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea

3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 75377695) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea
PubChem CID75377695
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea
SMILESCCN(Cc1ccccn1)C(=O)NC(C)c1csc2ccccc12
InChIInChI=1S/C19H21N3OS/c1-3-22(12-15-8-6-7-11-20-15)19(23)21-14(2)17-13-24-18-10-5-4-9-16(17)18/h4-11,13-14H,3,12H2,1-2H3,(H,21,23)
InChIKeyUAJISRAQNNPBCB-UHFFFAOYSA-N
XLogP4.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea (CID 75377695) is 3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea is CCN(Cc1ccccn1)C(=O)NC(C)c1csc2ccccc12.
What is the InChIKey of 3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is UAJISRAQNNPBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-3-22(12-15-8-6-7-11-20-15)19(23)21-14(2)17-13-24-18-10-5-4-9-16(17)18/h4-11,13-14H,3,12H2,1-2H3,(H,21,23).
What are the key properties of 3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea?
3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 339.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzothiophen-3-yl)ethyl]-1-ethyl-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 75377695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).