5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide

C14H14INOS — CID 78948957

IUPAC5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
SMILESCC(CNC(=O)c1csc(I)c1)c1ccccc1
InChIInChI=1S/C14H14INOS/c1-10(11-5-3-2-4-6-11)8-16-14(17)12-7-13(15)18-9-12/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyPYFOCSUBBHCNPR-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.89
Rot. Bonds4

About 5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide

5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide (PubChem CID 78948957) has the molecular formula C14H14INOS and a molecular weight of 371.24 g/mol. Its IUPAC name is 5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
PubChem CID78948957
Molecular FormulaC14H14INOS
Molecular Weight371.24 g/mol
Exact Mass370.98
IUPAC Name5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
SMILESCC(CNC(=O)c1csc(I)c1)c1ccccc1
InChIInChI=1S/C14H14INOS/c1-10(11-5-3-2-4-6-11)8-16-14(17)12-7-13(15)18-9-12/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyPYFOCSUBBHCNPR-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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-[(5-iodothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 79685262
N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide
CID 78949054
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829270
5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 81478928
3-[(5-iodothiophene-3-carbonyl)amino]-2-methoxypropanoic acid
CID 106107566
N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 79693174
N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
CID 79693699
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide (CID 78948957) is 5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide is CC(CNC(=O)c1csc(I)c1)c1ccccc1.
What is the InChIKey of 5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide?
The InChIKey is PYFOCSUBBHCNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INOS/c1-10(11-5-3-2-4-6-11)8-16-14(17)12-7-13(15)18-9-12/h2-7,9-10H,8H2,1H3,(H,16,17).
What are the key properties of 5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide?
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide has a molecular weight of 371.24 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 78948957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).