1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea

C24H33N3O4S — CID 46012501

About 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea

1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea (PubChem CID 46012501) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea.

Molecular Properties

• Compound Name: 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea
• PubChem CID: 46012501
• Molecular Formula: C24H33N3O4S
• Molecular Weight: 459.61 g/mol
• Exact Mass: 459.22
• IUPAC Name: 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea
• SMILES: CCCNC(=O)N(CC(=O)N1CCc2sccc2C1COc1cccc(OC)c1)C(C)C
• InChI: InChI=1S/C24H33N3O4S/c1-5-11-25-24(29)27(17(2)3)15-23(28)26-12-9-22-20(10-13-32-22)21(26)16-31-19-8-6-7-18(14-19)30-4/h6-8,10,13-14,17,21H,5,9,11-12,15-16H2,1-4H3,(H,25,29)
• InChIKey: QMPMNRSXXGCVTA-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.61
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea?

The IUPAC name of 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea (CID 46012501) is 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea.

What is the SMILES notation for 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea?

The canonical SMILES for 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea is CCCNC(=O)N(CC(=O)N1CCc2sccc2C1COc1cccc(OC)c1)C(C)C.

What is the InChIKey of 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea?

The InChIKey is QMPMNRSXXGCVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-5-11-25-24(29)27(17(2)3)15-23(28)26-12-9-22-20(10-13-32-22)21(26)16-31-19-8-6-7-18(14-19)30-4/h6-8,10,13-14,17,21H,5,9,11-12,15-16H2,1-4H3,(H,25,29).

What are the key properties of 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea?

1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea has a molecular weight of 459.61 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-propan-2-yl-3-propylurea is sourced from PubChem (CID 46012501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).