N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide

C23H25N3OS — CID 134016368

IUPACN-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2-c2ccccc2)ccc1N1CCN(C)CC1
InChIInChI=1S/C23H25N3OS/c1-17-16-19(8-9-21(17)26-13-11-25(2)12-14-26)24-23(27)22-20(10-15-28-22)18-6-4-3-5-7-18/h3-10,15-16H,11-14H2,1-2H3,(H,24,27)
InChIKeyHCEPHNACPKEYSH-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.73
Rot. Bonds4

About N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide

N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide (PubChem CID 134016368) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
PubChem CID134016368
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2-c2ccccc2)ccc1N1CCN(C)CC1
InChIInChI=1S/C23H25N3OS/c1-17-16-19(8-9-21(17)26-13-11-25(2)12-14-26)24-23(27)22-20(10-15-28-22)18-6-4-3-5-7-18/h3-10,15-16H,11-14H2,1-2H3,(H,24,27)
InChIKeyHCEPHNACPKEYSH-UHFFFAOYSA-N
XLogP4.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.73
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-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 17444618
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 78792257
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 51273364
5-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 39727257
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide
CID 17449024
N-(2-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 8001425
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 55931198
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18276754
(Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
CID 24535310
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 39726957
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide (CID 134016368) is N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide is Cc1cc(NC(=O)c2sccc2-c2ccccc2)ccc1N1CCN(C)CC1.
What is the InChIKey of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is HCEPHNACPKEYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-17-16-19(8-9-21(17)26-13-11-25(2)12-14-26)24-23(27)22-20(10-15-28-22)18-6-4-3-5-7-18/h3-10,15-16H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide?
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 134016368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).