N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide

C14H14INOS — CID 79692778

IUPACN-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2csc(I)c2)cc1
InChIInChI=1S/C14H14INOS/c1-3-10-4-6-12(7-5-10)16(2)14(17)11-8-13(15)18-9-11/h4-9H,3H2,1-2H3
InChIKeyUCGANZCNVJDAST-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.19
Rot. Bonds3

About N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide

N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide (PubChem CID 79692778) has the molecular formula C14H14INOS and a molecular weight of 371.24 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide
PubChem CID79692778
Molecular FormulaC14H14INOS
Molecular Weight371.24 g/mol
Exact Mass370.98
IUPAC NameN-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2csc(I)c2)cc1
InChIInChI=1S/C14H14INOS/c1-3-10-4-6-12(7-5-10)16(2)14(17)11-8-13(15)18-9-11/h4-9H,3H2,1-2H3
InChIKeyUCGANZCNVJDAST-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949482
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide
CID 107962236
3-amino-N-(4-ethylphenyl)-4-methoxy-N-methylbenzamide
CID 62004047
5-iodo-N,N-dipropylthiophene-3-carboxamide
CID 78948915
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
CID 104556113
N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79601816
N-cyclopropyl-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948757
N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 81482711

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide (CID 79692778) is N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide is CCc1ccc(N(C)C(=O)c2csc(I)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide?
The InChIKey is UCGANZCNVJDAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INOS/c1-3-10-4-6-12(7-5-10)16(2)14(17)11-8-13(15)18-9-11/h4-9H,3H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide?
N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide has a molecular weight of 371.24 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 79692778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).