N-(4-iodophenyl)-3-thiophen-2-ylpropanamide

C13H12INOS — CID 2991783

IUPACN-(4-iodophenyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc(I)cc1
InChIInChI=1S/C13H12INOS/c14-10-3-5-11(6-4-10)15-13(16)8-7-12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)
InChIKeyCHLZGWQILOBCLL-UHFFFAOYSA-N
MW357.22 g/mol
LogP3.92
Rot. Bonds4

About N-(4-iodophenyl)-3-thiophen-2-ylpropanamide

N-(4-iodophenyl)-3-thiophen-2-ylpropanamide (PubChem CID 2991783) has the molecular formula C13H12INOS and a molecular weight of 357.22 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-thiophen-2-ylpropanamide
PubChem CID2991783
Molecular FormulaC13H12INOS
Molecular Weight357.22 g/mol
Exact Mass356.97
IUPAC NameN-(4-iodophenyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc(I)cc1
InChIInChI=1S/C13H12INOS/c14-10-3-5-11(6-4-10)15-13(16)8-7-12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)
InChIKeyCHLZGWQILOBCLL-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.92
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

N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4913564
N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 9114606
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 110635875
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide
CID 75482522
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 23824710

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-iodophenyl)-3-thiophen-2-ylpropanamide (CID 2991783) is N-(4-iodophenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-iodophenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-iodophenyl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is CHLZGWQILOBCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INOS/c14-10-3-5-11(6-4-10)15-13(16)8-7-12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16).
What are the key properties of N-(4-iodophenyl)-3-thiophen-2-ylpropanamide?
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 357.22 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 2991783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).