N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide

C21H20N2O2S — CID 24555383

IUPACN-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N(Cc1ccccc1)c1ccccc1)c1ccsc1
InChIInChI=1S/C21H20N2O2S/c24-20(11-13-22-21(25)18-12-14-26-16-18)23(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-10,12,14,16H,11,13,15H2,(H,22,25)
InChIKeyYFJFDASMCRGAPB-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.10
Rot. Bonds7

About N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide

N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 24555383) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID24555383
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N(Cc1ccccc1)c1ccccc1)c1ccsc1
InChIInChI=1S/C21H20N2O2S/c24-20(11-13-22-21(25)18-12-14-26-16-18)23(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-10,12,14,16H,11,13,15H2,(H,22,25)
InChIKeyYFJFDASMCRGAPB-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 120648959
N-[3-(2-benzyl-2-phenylhydrazinyl)-3-oxopropyl]thiophene-3-carboxamide
CID 39476486
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 120648958
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51183578
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
CID 18090249
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18272017
N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630749
N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18113918
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134013849

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide (CID 24555383) is N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide is O=C(NCCC(=O)N(Cc1ccccc1)c1ccccc1)c1ccsc1.
What is the InChIKey of N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is YFJFDASMCRGAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-20(11-13-22-21(25)18-12-14-26-16-18)23(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-10,12,14,16H,11,13,15H2,(H,22,25).
What are the key properties of N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 24555383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).