1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea

C20H26N2O3S — CID 126423557

About 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea

1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea (PubChem CID 126423557) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea
• PubChem CID: 126423557
• Molecular Formula: C20H26N2O3S
• Molecular Weight: 374.51 g/mol
• Exact Mass: 374.17
• IUPAC Name: 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea
• SMILES: COCCN(Cc1ccsc1)C(=O)N[C@H]1CCCc2cc(OC)ccc21
• InChI: InChI=1S/C20H26N2O3S/c1-24-10-9-22(13-15-8-11-26-14-15)20(23)21-19-5-3-4-16-12-17(25-2)6-7-18(16)19/h6-8,11-12,14,19H,3-5,9-10,13H2,1-2H3,(H,21,23)/t19-/m0/s1
• InChIKey: AURRWPVPKOZOQA-IBGZPJMESA-N
• XLogP: 3.99
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.51
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea?

The IUPAC name of 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea (CID 126423557) is 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea.

What is the SMILES notation for 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea?

The canonical SMILES for 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea is COCCN(Cc1ccsc1)C(=O)N[C@H]1CCCc2cc(OC)ccc21.

What is the InChIKey of 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea?

The InChIKey is AURRWPVPKOZOQA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-24-10-9-22(13-15-8-11-26-14-15)20(23)21-19-5-3-4-16-12-17(25-2)6-7-18(16)19/h6-8,11-12,14,19H,3-5,9-10,13H2,1-2H3,(H,21,23)/t19-/m0/s1.

What are the key properties of 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea?

1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea has a molecular weight of 374.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 126423557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).