N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide

C14H12ClIN2O2S — CID 78949699

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1csc(I)c1
InChIInChI=1S/C14H12ClIN2O2S/c1-18(14(20)9-6-12(16)21-8-9)7-13(19)17-11-5-3-2-4-10(11)15/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyHIUBVIBRXRKQOZ-UHFFFAOYSA-N
MW434.69 g/mol
LogP3.72
Rot. Bonds4

About N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide

N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide (PubChem CID 78949699) has the molecular formula C14H12ClIN2O2S and a molecular weight of 434.69 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
PubChem CID78949699
Molecular FormulaC14H12ClIN2O2S
Molecular Weight434.69 g/mol
Exact Mass433.94
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1csc(I)c1
InChIInChI=1S/C14H12ClIN2O2S/c1-18(14(20)9-6-12(16)21-8-9)7-13(19)17-11-5-3-2-4-10(11)15/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyHIUBVIBRXRKQOZ-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.69
LogP ≤ 53.72
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

methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 55789119
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 46472425
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 38660045
N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 9409794
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2-cyanophenyl)sulfanyl-N-methylbenzamide
CID 24980334
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-chlorophenyl)sulfamoyl]-N-methylbenzamide
CID 26560928
N-[2-chloro-5-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27807443
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 38659885

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide (CID 78949699) is N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)c1csc(I)c1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide?
The InChIKey is HIUBVIBRXRKQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O2S/c1-18(14(20)9-6-12(16)21-8-9)7-13(19)17-11-5-3-2-4-10(11)15/h2-6,8H,7H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide has a molecular weight of 434.69 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 78949699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).