1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea

C14H18N2O3S — CID 100726939

IUPAC1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC[C@H](O)c1csc2ccccc12
InChIInChI=1S/C14H18N2O3S/c1-19-7-6-15-14(18)16-8-12(17)11-9-20-13-5-3-2-4-10(11)13/h2-5,9,12,17H,6-8H2,1H3,(H2,15,16,18)/t12-/m0/s1
InChIKeyAEFUTVFBFUBVRW-LBPRGKRZSA-N
MW294.38 g/mol
LogP1.88
Rot. Bonds6

About 1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea

1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea (PubChem CID 100726939) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea
PubChem CID100726939
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC[C@H](O)c1csc2ccccc12
InChIInChI=1S/C14H18N2O3S/c1-19-7-6-15-14(18)16-8-12(17)11-9-20-13-5-3-2-4-10(11)13/h2-5,9,12,17H,6-8H2,1H3,(H2,15,16,18)/t12-/m0/s1
InChIKeyAEFUTVFBFUBVRW-LBPRGKRZSA-N
XLogP1.88
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea (CID 100726939) is 1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NC[C@H](O)c1csc2ccccc12.
What is the InChIKey of 1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea?
The InChIKey is AEFUTVFBFUBVRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-7-6-15-14(18)16-8-12(17)11-9-20-13-5-3-2-4-10(11)13/h2-5,9,12,17H,6-8H2,1H3,(H2,15,16,18)/t12-/m0/s1.
What are the key properties of 1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea?
1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea has a molecular weight of 294.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 100726939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).