N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide

C33H34FN3O2S — CID 42710250

IUPACN-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(CCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C33H34FN3O2S/c34-29-15-13-26(14-16-29)25-37(31(38)24-30-12-7-23-40-30)22-19-35-17-20-36(21-18-35)33(39)32(27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-16,23,32H,17-22,24-25H2
InChIKeyPFYLZCJOHZNDNF-UHFFFAOYSA-N
MW555.72 g/mol
LogP5.43
Rot. Bonds10

About N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide

N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 42710250) has the molecular formula C33H34FN3O2S and a molecular weight of 555.72 g/mol. Its IUPAC name is N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID42710250
Molecular FormulaC33H34FN3O2S
Molecular Weight555.72 g/mol
Exact Mass555.24
IUPAC NameN-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(CCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccc(F)cc1
InChIInChI=1S/C33H34FN3O2S/c34-29-15-13-26(14-16-29)25-37(31(38)24-30-12-7-23-40-30)22-19-35-17-20-36(21-18-35)33(39)32(27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-16,23,32H,17-22,24-25H2
InChIKeyPFYLZCJOHZNDNF-UHFFFAOYSA-N
XLogP5.43
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.72
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide (CID 42710250) is N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N(CCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is PFYLZCJOHZNDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN3O2S/c34-29-15-13-26(14-16-29)25-37(31(38)24-30-12-7-23-40-30)22-19-35-17-20-36(21-18-35)33(39)32(27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-16,23,32H,17-22,24-25H2.
What are the key properties of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide?
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 555.72 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42710250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).