3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide

C14H14INOS — CID 60722842

IUPAC3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1cccc(I)c1
InChIInChI=1S/C14H14INOS/c1-10(8-13-6-3-7-18-13)16-14(17)11-4-2-5-12(15)9-11/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyKJAITKXVQZMQQX-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.71
Rot. Bonds4

About 3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide

3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 60722842) has the molecular formula C14H14INOS and a molecular weight of 371.24 g/mol. Its IUPAC name is 3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID60722842
Molecular FormulaC14H14INOS
Molecular Weight371.24 g/mol
Exact Mass370.98
IUPAC Name3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1cccs1)NC(=O)c1cccc(I)c1
InChIInChI=1S/C14H14INOS/c1-10(8-13-6-3-7-18-13)16-14(17)11-4-2-5-12(15)9-11/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyKJAITKXVQZMQQX-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103956007
4-fluoro-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63212844
2-[3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)anilino]acetic acid
CID 46991021
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide (CID 60722842) is 3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide is CC(Cc1cccs1)NC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is KJAITKXVQZMQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INOS/c1-10(8-13-6-3-7-18-13)16-14(17)11-4-2-5-12(15)9-11/h2-7,9-10H,8H2,1H3,(H,16,17).
What are the key properties of 3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 371.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 60722842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).