1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea

C24H26ClFN4OS — CID 16806647

IUPAC1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)C(c1cccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H26ClFN4OS/c1-17(27-24(31)28-19-7-4-6-18(25)16-19)23(22-10-5-15-32-22)30-13-11-29(12-14-30)21-9-3-2-8-20(21)26/h2-10,15-17,23H,11-14H2,1H3,(H2,27,28,31)
InChIKeyGEWNVDHAGZJTKL-UHFFFAOYSA-N
MW473.02 g/mol
LogP5.61
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea

1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea (PubChem CID 16806647) has the molecular formula C24H26ClFN4OS and a molecular weight of 473.02 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea
PubChem CID16806647
Molecular FormulaC24H26ClFN4OS
Molecular Weight473.02 g/mol
Exact Mass472.15
IUPAC Name1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)C(c1cccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H26ClFN4OS/c1-17(27-24(31)28-19-7-4-6-18(25)16-19)23(22-10-5-15-32-22)30-13-11-29(12-14-30)21-9-3-2-8-20(21)26/h2-10,15-17,23H,11-14H2,1H3,(H2,27,28,31)
InChIKeyGEWNVDHAGZJTKL-UHFFFAOYSA-N
XLogP5.61
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.02
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-Chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
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1-(3-Chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
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CID 44424267
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4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea (CID 16806647) is 1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea is CC(NC(=O)Nc1cccc(Cl)c1)C(c1cccs1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea?
The InChIKey is GEWNVDHAGZJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4OS/c1-17(27-24(31)28-19-7-4-6-18(25)16-19)23(22-10-5-15-32-22)30-13-11-29(12-14-30)21-9-3-2-8-20(21)26/h2-10,15-17,23H,11-14H2,1H3,(H2,27,28,31).
What are the key properties of 1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea?
1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea has a molecular weight of 473.02 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]urea is sourced from PubChem (CID 16806647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).