N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide

C19H22N4O3S — CID 9037224

IUPACN-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O3S/c24-17(13-21-19(26)16-7-4-12-27-16)20-14-18(25)23-10-8-22(9-11-23)15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H,20,24)(H,21,26)
InChIKeyFLSZPAQRWCAPLG-UHFFFAOYSA-N
MW386.48 g/mol
LogP0.94
Rot. Bonds6

About N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide (PubChem CID 9037224) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide
PubChem CID9037224
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O3S/c24-17(13-21-19(26)16-7-4-12-27-16)20-14-18(25)23-10-8-22(9-11-23)15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H,20,24)(H,21,26)
InChIKeyFLSZPAQRWCAPLG-UHFFFAOYSA-N
XLogP0.94
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 9254175
N-[2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9271160
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-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 43390914
N-[2-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9163541
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 26080655
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-thiophen-2-ylacetamide
CID 113097730
N-[2-(4-isoquinolin-4-ylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 126780252
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
CID 66165843

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide (CID 9037224) is N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide?
The InChIKey is FLSZPAQRWCAPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-17(13-21-19(26)16-7-4-12-27-16)20-14-18(25)23-10-8-22(9-11-23)15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H,20,24)(H,21,26).
What are the key properties of N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9037224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).