N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide

C23H26N2OS — CID 26958695

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1
InChIInChI=1S/C23H26N2OS/c1-3-25(4-2)17-19-12-10-18(11-13-19)16-24-23(26)22-21(14-15-27-22)20-8-6-5-7-9-20/h5-15H,3-4,16-17H2,1-2H3,(H,24,26)
InChIKeyWFSJUOXVSCLPDG-UHFFFAOYSA-N
MW378.54 g/mol
LogP5.19
Rot. Bonds8

About N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide (PubChem CID 26958695) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
PubChem CID26958695
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1
InChIInChI=1S/C23H26N2OS/c1-3-25(4-2)17-19-12-10-18(11-13-19)16-24-23(26)22-21(14-15-27-22)20-8-6-5-7-9-20/h5-15H,3-4,16-17H2,1-2H3,(H,24,26)
InChIKeyWFSJUOXVSCLPDG-UHFFFAOYSA-N
XLogP5.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 60514084
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 56552203
N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide
CID 65112605
N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
CID 119641993
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide
CID 18721477
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 17477546
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879994
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 119835863
N-but-3-enyl-3-phenylthiophene-2-carboxamide
CID 113465989

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide (CID 26958695) is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide is CCN(CC)Cc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is WFSJUOXVSCLPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-3-25(4-2)17-19-12-10-18(11-13-19)16-24-23(26)22-21(14-15-27-22)20-8-6-5-7-9-20/h5-15H,3-4,16-17H2,1-2H3,(H,24,26).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 26958695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).