N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide

C13H12INO2S — CID 79692773

IUPACN-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2csc(I)c2)c(C)c1O
InChIInChI=1S/C13H12INO2S/c1-7-3-4-10(8(2)12(7)16)15-13(17)9-5-11(14)18-6-9/h3-6,16H,1-2H3,(H,15,17)
InChIKeyKBIKVXZBLQVTOV-UHFFFAOYSA-N
MW373.22 g/mol
LogP3.93
Rot. Bonds2

About N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide

N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide (PubChem CID 79692773) has the molecular formula C13H12INO2S and a molecular weight of 373.22 g/mol. Its IUPAC name is N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide
PubChem CID79692773
Molecular FormulaC13H12INO2S
Molecular Weight373.22 g/mol
Exact Mass372.96
IUPAC NameN-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2csc(I)c2)c(C)c1O
InChIInChI=1S/C13H12INO2S/c1-7-3-4-10(8(2)12(7)16)15-13(17)9-5-11(14)18-6-9/h3-6,16H,1-2H3,(H,15,17)
InChIKeyKBIKVXZBLQVTOV-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 53.93
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

5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide
CID 78949082
4-[(5-iodothiophene-3-carbonyl)amino]-3-methylbenzoic acid
CID 79685348
N-[4-(dimethylamino)-2-methylphenyl]-5-iodothiophene-3-carboxamide
CID 78948667
5-iodo-N-(4-methoxy-2-methylphenyl)thiophene-3-carboxamide
CID 78948835
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
CID 103828130
N-(3-hydroxy-2,4-dimethylphenyl)-2-iodobenzamide
CID 61400668
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
N-(2-amino-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 112557451
N-(2,4-dimethyl-5-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 115618087
2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride
CID 116814222
N-(4,5-dimethyl-2-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 79692955
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide (CID 79692773) is N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide is Cc1ccc(NC(=O)c2csc(I)c2)c(C)c1O.
What is the InChIKey of N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide?
The InChIKey is KBIKVXZBLQVTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO2S/c1-7-3-4-10(8(2)12(7)16)15-13(17)9-5-11(14)18-6-9/h3-6,16H,1-2H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide?
N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide has a molecular weight of 373.22 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,4-dimethylphenyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79692773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).