N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide

C21H20N2O2S — CID 51183578

IUPACN-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(NCCC(=O)N(Cc1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C21H20N2O2S/c24-20(13-14-22-21(25)19-12-7-15-26-19)23(18-10-5-2-6-11-18)16-17-8-3-1-4-9-17/h1-12,15H,13-14,16H2,(H,22,25)
InChIKeySABMUGSXPUALAK-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.10
Rot. Bonds7

About N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 51183578) 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-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID51183578
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(NCCC(=O)N(Cc1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C21H20N2O2S/c24-20(13-14-22-21(25)19-12-7-15-26-19)23(18-10-5-2-6-11-18)16-17-8-3-1-4-9-17/h1-12,15H,13-14,16H2,(H,22,25)
InChIKeySABMUGSXPUALAK-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-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383
N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
CID 113053992
N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
CID 18090249
N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
CID 113057163
[2-(N-benzylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484254
N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630749
N-benzylthiophene-2-carboxamide
CID 574227
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243
3-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
CID 62825794
N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 38746463
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 51183578) is N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide is O=C(NCCC(=O)N(Cc1ccccc1)c1ccccc1)c1cccs1.
What is the InChIKey of N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is SABMUGSXPUALAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-20(13-14-22-21(25)19-12-7-15-26-19)23(18-10-5-2-6-11-18)16-17-8-3-1-4-9-17/h1-12,15H,13-14,16H2,(H,22,25).
What are the key properties of N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 51183578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).