1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea

C14H22N2O3S — CID 100678158

IUPAC1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea
SMILESCO[C@@H](CNC(=O)NC1CCOCC1)c1ccc(C)s1
InChIInChI=1S/C14H22N2O3S/c1-10-3-4-13(20-10)12(18-2)9-15-14(17)16-11-5-7-19-8-6-11/h3-4,11-12H,5-9H2,1-2H3,(H2,15,16,17)/t12-/m0/s1
InChIKeyGQPSGKMYUYSSDK-LBPRGKRZSA-N
MW298.41 g/mol
LogP2.22
Rot. Bonds5

About 1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea

1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea (PubChem CID 100678158) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea
PubChem CID100678158
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea
SMILESCO[C@@H](CNC(=O)NC1CCOCC1)c1ccc(C)s1
InChIInChI=1S/C14H22N2O3S/c1-10-3-4-13(20-10)12(18-2)9-15-14(17)16-11-5-7-19-8-6-11/h3-4,11-12H,5-9H2,1-2H3,(H2,15,16,17)/t12-/m0/s1
InChIKeyGQPSGKMYUYSSDK-LBPRGKRZSA-N
XLogP2.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)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-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea (CID 100678158) is 1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea is CO[C@@H](CNC(=O)NC1CCOCC1)c1ccc(C)s1.
What is the InChIKey of 1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea?
The InChIKey is GQPSGKMYUYSSDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-3-4-13(20-10)12(18-2)9-15-14(17)16-11-5-7-19-8-6-11/h3-4,11-12H,5-9H2,1-2H3,(H2,15,16,17)/t12-/m0/s1.
What are the key properties of 1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea?
1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea has a molecular weight of 298.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 100678158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).