N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide

C10H14INO2S — CID 79601816

IUPACN-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1csc(I)c1
InChIInChI=1S/C10H14INO2S/c1-10(2,14)6-12(3)9(13)7-4-8(11)15-5-7/h4-5,14H,6H2,1-3H3
InChIKeyDPCJDTNUTLROCT-UHFFFAOYSA-N
MW339.20 g/mol
LogP2.20
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide

N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide (PubChem CID 79601816) has the molecular formula C10H14INO2S and a molecular weight of 339.20 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide
PubChem CID79601816
Molecular FormulaC10H14INO2S
Molecular Weight339.20 g/mol
Exact Mass338.98
IUPAC NameN-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1csc(I)c1
InChIInChI=1S/C10H14INO2S/c1-10(2,14)6-12(3)9(13)7-4-8(11)15-5-7/h4-5,14H,6H2,1-3H3
InChIKeyDPCJDTNUTLROCT-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide
CID 131019852
N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 81482711
N-(3-amino-3-sulfanylidenepropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79694120
N-[[4-(dimethylamino)phenyl]methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949482
3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79384757
N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 79692774
methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate
CID 78950585
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 78948437
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
CID 79390037
5-iodo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948563

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide (CID 79601816) is N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide is CN(CC(C)(C)O)C(=O)c1csc(I)c1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide?
The InChIKey is DPCJDTNUTLROCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2S/c1-10(2,14)6-12(3)9(13)7-4-8(11)15-5-7/h4-5,14H,6H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide has a molecular weight of 339.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 79601816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).