1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea

C23H25ClN4O3S — CID 52710551

About 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea

1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea (PubChem CID 52710551) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea
• PubChem CID: 52710551
• Molecular Formula: C23H25ClN4O3S
• Molecular Weight: 473.00 g/mol
• Exact Mass: 472.13
• IUPAC Name: 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea
• SMILES: O=C(NCC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1)NCc1ccco1
• InChI: InChI=1S/C23H25ClN4O3S/c24-20-6-2-1-5-19(20)21-8-7-18(32-21)16-27-9-11-28(12-10-27)22(29)15-26-23(30)25-14-17-4-3-13-31-17/h1-8,13H,9-12,14-16H2,(H2,25,26,30)
• InChIKey: YMRRYCQZOIZYBV-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 77.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.00
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea?

The IUPAC name of 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea (CID 52710551) is 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea.

What is the SMILES notation for 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea?

The canonical SMILES for 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea is O=C(NCC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1)NCc1ccco1.

What is the InChIKey of 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea?

The InChIKey is YMRRYCQZOIZYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c24-20-6-2-1-5-19(20)21-8-7-18(32-21)16-27-9-11-28(12-10-27)22(29)15-26-23(30)25-14-17-4-3-13-31-17/h1-8,13H,9-12,14-16H2,(H2,25,26,30).

What are the key properties of 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea?

1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 473.00 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 52710551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).