N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide

C9H12INO2S — CID 79692866

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1csc(I)c1
InChIInChI=1S/C9H12INO2S/c1-9(2,5-12)11-8(13)6-3-7(10)14-4-6/h3-4,12H,5H2,1-2H3,(H,11,13)
InChIKeyZSVOBOUNSXZAOP-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.85
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide (PubChem CID 79692866) has the molecular formula C9H12INO2S and a molecular weight of 325.17 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide
PubChem CID79692866
Molecular FormulaC9H12INO2S
Molecular Weight325.17 g/mol
Exact Mass324.96
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1csc(I)c1
InChIInChI=1S/C9H12INO2S/c1-9(2,5-12)11-8(13)6-3-7(10)14-4-6/h3-4,12H,5H2,1-2H3,(H,11,13)
InChIKeyZSVOBOUNSXZAOP-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.85
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-tert-butylthiophene-3-carboxamide
CID 9794067
N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide
CID 164632129
N-tert-butyl-5-fluorothiophene-3-carboxamide
CID 154621469
N-propanoylthiophene-3-carboxamide
CID 12104591
N-butanoylthiophene-3-carboxamide
CID 12104592
3,3,3-Trifluoro-2-[(5-iodothiophene-3-carbonyl)amino]-2-methylpropanoic acid
CID 79795737
3,3,3-Trifluoro-2-methyl-2-(thiophene-3-carbonylamino)propanoic acid
CID 79796246
5-iodo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103726423
N-(3,3-difluoro-2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 103769933
N-(2,2-difluoro-3-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 104858224
N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide
CID 126782109
N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 43391583

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide (CID 79692866) is N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide is CC(C)(CO)NC(=O)c1csc(I)c1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is ZSVOBOUNSXZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2S/c1-9(2,5-12)11-8(13)6-3-7(10)14-4-6/h3-4,12H,5H2,1-2H3,(H,11,13).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79692866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).