N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide

C18H23N3O2S — CID 41306986

IUPACN-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CCCNC(=O)CNC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-21(14-15-7-3-2-4-8-15)11-6-10-19-17(22)13-20-18(23)16-9-5-12-24-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyRWSAWGIIBQCVEC-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.12
Rot. Bonds9

About N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 41306986) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID41306986
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(CCCNC(=O)CNC(=O)c1cccs1)Cc1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-21(14-15-7-3-2-4-8-15)11-6-10-19-17(22)13-20-18(23)16-9-5-12-24-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyRWSAWGIIBQCVEC-UHFFFAOYSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]thiophene-2-carboxamide
CID 9293653
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
CID 113053992
N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 5127937
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
CID 28577544
N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 111471983
N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18272017

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 41306986) is N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide is CN(CCCNC(=O)CNC(=O)c1cccs1)Cc1ccccc1.
What is the InChIKey of N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is RWSAWGIIBQCVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-21(14-15-7-3-2-4-8-15)11-6-10-19-17(22)13-20-18(23)16-9-5-12-24-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 41306986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).