N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide

C9H12INO3S — CID 79693699

IUPACN-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
SMILESCOCC(O)CNC(=O)c1csc(I)c1
InChIInChI=1S/C9H12INO3S/c1-14-4-7(12)3-11-9(13)6-2-8(10)15-5-6/h2,5,7,12H,3-4H2,1H3,(H,11,13)
InChIKeyJRFULRFDZMBCLF-UHFFFAOYSA-N
MW341.17 g/mol
LogP1.09
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide

N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide (PubChem CID 79693699) has the molecular formula C9H12INO3S and a molecular weight of 341.17 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
PubChem CID79693699
Molecular FormulaC9H12INO3S
Molecular Weight341.17 g/mol
Exact Mass340.96
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide
SMILESCOCC(O)CNC(=O)c1csc(I)c1
InChIInChI=1S/C9H12INO3S/c1-14-4-7(12)3-11-9(13)6-2-8(10)15-5-6/h2,5,7,12H,3-4H2,1H3,(H,11,13)
InChIKeyJRFULRFDZMBCLF-UHFFFAOYSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
3-[(5-iodothiophene-3-carbonyl)amino]-2-methoxypropanoic acid
CID 106107566
N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide
CID 106244389
N-(2-amino-3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 79693174
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
5-iodo-N-(4-methoxybutan-2-yl)thiophene-3-carboxamide
CID 78948996
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
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 78949637
5-iodo-N-(2-oxopropyl)thiophene-3-carboxamide
CID 79692764
N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide
CID 107030584

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide (CID 79693699) is N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide is COCC(O)CNC(=O)c1csc(I)c1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide?
The InChIKey is JRFULRFDZMBCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO3S/c1-14-4-7(12)3-11-9(13)6-2-8(10)15-5-6/h2,5,7,12H,3-4H2,1H3,(H,11,13).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide has a molecular weight of 341.17 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79693699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).