N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

C19H21FN4O3S — CID 9021969

IUPACN-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CN1CCN(C(=O)CNC(=O)c2cccs2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O3S/c20-14-3-5-15(6-4-14)22-17(25)13-23-7-9-24(10-8-23)18(26)12-21-19(27)16-2-1-11-28-16/h1-6,11H,7-10,12-13H2,(H,21,27)(H,22,25)
InChIKeyMORZQQBRFDVTMC-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.40
Rot. Bonds6

About N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9021969) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9021969
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC NameN-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CN1CCN(C(=O)CNC(=O)c2cccs2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O3S/c20-14-3-5-15(6-4-14)22-17(25)13-23-7-9-24(10-8-23)18(26)12-21-19(27)16-2-1-11-28-16/h1-6,11H,7-10,12-13H2,(H,21,27)(H,22,25)
InChIKeyMORZQQBRFDVTMC-UHFFFAOYSA-N
XLogP1.40
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55650509
N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 74227154
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 43390914
N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35707422
N-(4-fluorophenyl)-2-[4-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30622575
2-[4-[2-(2,6-dimethylanilino)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 78822996
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962
N-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18153023
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-thiophen-2-ylacetamide
CID 113097730
N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9037224
N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 78801385
N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 27841923

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 9021969) is N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is O=C(CN1CCN(C(=O)CNC(=O)c2cccs2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is MORZQQBRFDVTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c20-14-3-5-15(6-4-14)22-17(25)13-23-7-9-24(10-8-23)18(26)12-21-19(27)16-2-1-11-28-16/h1-6,11H,7-10,12-13H2,(H,21,27)(H,22,25).
What are the key properties of N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9021969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).