N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

C17H21N3OS — CID 7341667

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C17H21N3OS/c1-2-19-9-11-20(12-10-19)15-7-5-14(6-8-15)18-17(21)16-4-3-13-22-16/h3-8,13H,2,9-12H2,1H3,(H,18,21)
InChIKeyKWMDXXDXMIWETA-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.14
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 7341667) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID7341667
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C17H21N3OS/c1-2-19-9-11-20(12-10-19)15-7-5-14(6-8-15)18-17(21)16-4-3-13-22-16/h3-8,13H,2,9-12H2,1H3,(H,18,21)
InChIKeyKWMDXXDXMIWETA-UHFFFAOYSA-N
XLogP3.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 969199
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 39911925
5-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 17488532
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55375941
N-[4-[4-(2-methylbutyl)-1,4-diazepan-1-yl]phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 45480809
N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4508683
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide
CID 1056022
N-[(2S)-1-[4-(4-benzylpiperazin-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 41083263
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16557769
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680238

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (CID 7341667) is N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is CCN1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is KWMDXXDXMIWETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-19-9-11-20(12-10-19)15-7-5-14(6-8-15)18-17(21)16-4-3-13-22-16/h3-8,13H,2,9-12H2,1H3,(H,18,21).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 7341667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).