N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide

C16H18N2O2S — CID 39769052

IUPACN-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C16H18N2O2S/c19-15(18-12-14-8-5-11-21-14)9-4-10-17-16(20)13-6-2-1-3-7-13/h1-3,5-8,11H,4,9-10,12H2,(H,17,20)(H,18,19)
InChIKeyUOAVMPNKNWUDNL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.57
Rot. Bonds7

About N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide

N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide (PubChem CID 39769052) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide
PubChem CID39769052
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C16H18N2O2S/c19-15(18-12-14-8-5-11-21-14)9-4-10-17-16(20)13-6-2-1-3-7-13/h1-3,5-8,11H,4,9-10,12H2,(H,17,20)(H,18,19)
InChIKeyUOAVMPNKNWUDNL-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111258358
N-[2-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111257618
N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 51181102
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-benzamido-3-hydroxypropanoate
CID 55885608
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide?
The IUPAC name of N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide (CID 39769052) is N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NCc1cccs1.
What is the InChIKey of N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide?
The InChIKey is UOAVMPNKNWUDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-15(18-12-14-8-5-11-21-14)9-4-10-17-16(20)13-6-2-1-3-7-13/h1-3,5-8,11H,4,9-10,12H2,(H,17,20)(H,18,19).
What are the key properties of N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide?
N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide has a molecular weight of 302.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide is sourced from PubChem (CID 39769052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).