2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide

C17H17IN2O2S — CID 31330561

IUPAC2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
SMILESC=CCN(Cc1cccs1)C(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C17H17IN2O2S/c1-2-9-20(12-13-6-5-10-23-13)16(21)11-19-17(22)14-7-3-4-8-15(14)18/h2-8,10H,1,9,11-12H2,(H,19,22)
InChIKeyGISLTWKZRNBHMT-UHFFFAOYSA-N
MW440.31 g/mol
LogP3.30
Rot. Bonds7

About 2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide

2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide (PubChem CID 31330561) has the molecular formula C17H17IN2O2S and a molecular weight of 440.31 g/mol. Its IUPAC name is 2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
PubChem CID31330561
Molecular FormulaC17H17IN2O2S
Molecular Weight440.31 g/mol
Exact Mass440.01
IUPAC Name2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
SMILESC=CCN(Cc1cccs1)C(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C17H17IN2O2S/c1-2-9-20(12-13-6-5-10-23-13)16(21)11-19-17(22)14-7-3-4-8-15(14)18/h2-8,10H,1,9,11-12H2,(H,19,22)
InChIKeyGISLTWKZRNBHMT-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330549
2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 31330766
2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide
CID 32769873
2-ethoxy-N-[2-[ethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18163395
2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 79263328
2-methyl-2-[[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]amino]butanoic acid
CID 79791958
2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43017580
2-(1-hydroxypropan-2-ylsulfanyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 113244573
2-(2-aminophenyl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43248896
N-benzyl-2-(prop-2-enylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 4573039
2-[[2-[(2-chlorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
CID 79264733
2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
CID 79265565

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide (CID 31330561) is 2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide is C=CCN(Cc1cccs1)C(=O)CNC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide?
The InChIKey is GISLTWKZRNBHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2S/c1-2-9-20(12-13-6-5-10-23-13)16(21)11-19-17(22)14-7-3-4-8-15(14)18/h2-8,10H,1,9,11-12H2,(H,19,22).
What are the key properties of 2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide?
2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide has a molecular weight of 440.31 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide is sourced from PubChem (CID 31330561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).