1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea

C17H20N2O2S — CID 91631372

IUPAC1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCOC1(CNC(=O)NCc2cccs2)Cc2ccccc2C1
InChIInChI=1S/C17H20N2O2S/c1-21-17(9-13-5-2-3-6-14(13)10-17)12-19-16(20)18-11-15-7-4-8-22-15/h2-8H,9-12H2,1H3,(H2,18,19,20)
InChIKeySWDIXBCOSWLFAR-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.73
Rot. Bonds5

About 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea

1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 91631372) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID91631372
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCOC1(CNC(=O)NCc2cccs2)Cc2ccccc2C1
InChIInChI=1S/C17H20N2O2S/c1-21-17(9-13-5-2-3-6-14(13)10-17)12-19-16(20)18-11-15-7-4-8-22-15/h2-8H,9-12H2,1H3,(H2,18,19,20)
InChIKeySWDIXBCOSWLFAR-UHFFFAOYSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)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-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea (CID 91631372) is 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea is COC1(CNC(=O)NCc2cccs2)Cc2ccccc2C1.
What is the InChIKey of 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is SWDIXBCOSWLFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-21-17(9-13-5-2-3-6-14(13)10-17)12-19-16(20)18-11-15-7-4-8-22-15/h2-8H,9-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea?
1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 316.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 91631372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).