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

C23H25N3OS — CID 155102286

IUPACN-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCN1CCN(c2ccc(N(Cc3ccccc3)C(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C23H25N3OS/c1-24-13-15-25(16-14-24)20-9-11-21(12-10-20)26(18-19-6-3-2-4-7-19)23(27)22-8-5-17-28-22/h2-12,17H,13-16,18H2,1H3
InChIKeyCYKFJQLTXLUKAY-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.35
Rot. Bonds5

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

N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 155102286) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID155102286
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCN1CCN(c2ccc(N(Cc3ccccc3)C(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C23H25N3OS/c1-24-13-15-25(16-14-24)20-9-11-21(12-10-20)26(18-19-6-3-2-4-7-19)23(27)22-8-5-17-28-22/h2-12,17H,13-16,18H2,1H3
InChIKeyCYKFJQLTXLUKAY-UHFFFAOYSA-N
XLogP4.35
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
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-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046849
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CID 167931324
N-benzyl-N-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46056426
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide
CID 113177424
benzyl-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamic acid
CID 70654869
N-[(2S)-1-[4-(4-benzylpiperazin-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 41083263
N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052660
3-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]propanoic acid
CID 82320447
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888
4-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680479
N-[2-[acetyl(benzyl)amino]-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 11516456
N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide
CID 141124736

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide (CID 155102286) is N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is CN1CCN(c2ccc(N(Cc3ccccc3)C(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is CYKFJQLTXLUKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-24-13-15-25(16-14-24)20-9-11-21(12-10-20)26(18-19-6-3-2-4-7-19)23(27)22-8-5-17-28-22/h2-12,17H,13-16,18H2,1H3.
What are the key properties of N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide?
N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 155102286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).