N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide

C24H25FN4O2S — CID 55678936

IUPACN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)c1ccsc1
InChIInChI=1S/C24H25FN4O2S/c25-19-5-7-20(8-6-19)29-14-12-28(13-15-29)11-10-26-24(31)21-3-1-2-4-22(21)27-23(30)18-9-16-32-17-18/h1-9,16-17H,10-15H2,(H,26,31)(H,27,30)
InChIKeyLPOCZUFSSMQDNU-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.69
Rot. Bonds7

About N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 55678936) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID55678936
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC NameN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)c1ccsc1
InChIInChI=1S/C24H25FN4O2S/c25-19-5-7-20(8-6-19)29-14-12-28(13-15-29)11-10-26-24(31)21-3-1-2-4-22(21)27-23(30)18-9-16-32-17-18/h1-9,16-17H,10-15H2,(H,26,31)(H,27,30)
InChIKeyLPOCZUFSSMQDNU-UHFFFAOYSA-N
XLogP3.69
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 119947503
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997758
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
CID 39052757
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 11725128
N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268645
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55931021
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide (CID 55678936) is N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)c1ccsc1.
What is the InChIKey of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is LPOCZUFSSMQDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c25-19-5-7-20(8-6-19)29-14-12-28(13-15-29)11-10-26-24(31)21-3-1-2-4-22(21)27-23(30)18-9-16-32-17-18/h1-9,16-17H,10-15H2,(H,26,31)(H,27,30).
What are the key properties of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 55678936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).