N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide

C8H10INO2S — CID 79693045

IUPACN-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
SMILESCC(O)CNC(=O)c1csc(I)c1
InChIInChI=1S/C8H10INO2S/c1-5(11)3-10-8(12)6-2-7(9)13-4-6/h2,4-5,11H,3H2,1H3,(H,10,12)
InChIKeyNPLKPAIDDMZFNJ-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.46
Rot. Bonds3

About N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide

N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide (PubChem CID 79693045) has the molecular formula C8H10INO2S and a molecular weight of 311.14 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
PubChem CID79693045
Molecular FormulaC8H10INO2S
Molecular Weight311.14 g/mol
Exact Mass310.95
IUPAC NameN-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
SMILESCC(O)CNC(=O)c1csc(I)c1
InChIInChI=1S/C8H10INO2S/c1-5(11)3-10-8(12)6-2-7(9)13-4-6/h2,4-5,11H,3H2,1H3,(H,10,12)
InChIKeyNPLKPAIDDMZFNJ-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 79693174
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
5-iodo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 81478928
5-iodo-N-[2-(methylamino)propyl]thiophene-3-carboxamide;hydrochloride
CID 120829270
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
CID 79693699
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
3-[(5-iodothiophene-3-carbonyl)amino]-2-methoxypropanoic acid
CID 106107566
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
3-[(5-iodothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 79685262
N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide
CID 78949054

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide (CID 79693045) is N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide is CC(O)CNC(=O)c1csc(I)c1.
What is the InChIKey of N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide?
The InChIKey is NPLKPAIDDMZFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO2S/c1-5(11)3-10-8(12)6-2-7(9)13-4-6/h2,4-5,11H,3H2,1H3,(H,10,12).
What are the key properties of N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide?
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide has a molecular weight of 311.14 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79693045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).