N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

C29H32FN5O2S — CID 20866466

IUPACN'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCCc1c[nH]c2ccccc12)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H32FN5O2S/c1-20(33-29(37)28(36)31-13-12-21-19-32-25-6-3-2-5-24(21)25)27(26-7-4-18-38-26)35-16-14-34(15-17-35)23-10-8-22(30)9-11-23/h2-11,18-20,27,32H,12-17H2,1H3,(H,31,36)(H,33,37)
InChIKeyQVPQOJFJSHPFCK-UHFFFAOYSA-N
MW533.67 g/mol
LogP4.10
Rot. Bonds8

About N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 20866466) has the molecular formula C29H32FN5O2S and a molecular weight of 533.67 g/mol. Its IUPAC name is N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID20866466
Molecular FormulaC29H32FN5O2S
Molecular Weight533.67 g/mol
Exact Mass533.23
IUPAC NameN'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCCc1c[nH]c2ccccc12)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H32FN5O2S/c1-20(33-29(37)28(36)31-13-12-21-19-32-25-6-3-2-5-24(21)25)27(26-7-4-18-38-26)35-16-14-34(15-17-35)23-10-8-22(30)9-11-23/h2-11,18-20,27,32H,12-17H2,1H3,(H,31,36)(H,33,37)
InChIKeyQVPQOJFJSHPFCK-UHFFFAOYSA-N
XLogP4.10
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.67
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 20866466) is N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is CC(NC(=O)C(=O)NCCc1c[nH]c2ccccc12)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is QVPQOJFJSHPFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O2S/c1-20(33-29(37)28(36)31-13-12-21-19-32-25-6-3-2-5-24(21)25)27(26-7-4-18-38-26)35-16-14-34(15-17-35)23-10-8-22(30)9-11-23/h2-11,18-20,27,32H,12-17H2,1H3,(H,31,36)(H,33,37).
What are the key properties of N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 533.67 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 20866466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).