3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide

C12H9ClINOS — CID 103401913

IUPAC3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(I)cc2)c1Cl
InChIInChI=1S/C12H9ClINOS/c1-7-6-17-11(10(7)13)12(16)15-9-4-2-8(14)3-5-9/h2-6H,1H3,(H,15,16)
InChIKeyRGCYFNNEHXQVEQ-UHFFFAOYSA-N
MW377.63 g/mol
LogP4.57
Rot. Bonds2

About 3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide

3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide (PubChem CID 103401913) has the molecular formula C12H9ClINOS and a molecular weight of 377.63 g/mol. Its IUPAC name is 3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
PubChem CID103401913
Molecular FormulaC12H9ClINOS
Molecular Weight377.63 g/mol
Exact Mass376.91
IUPAC Name3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(I)cc2)c1Cl
InChIInChI=1S/C12H9ClINOS/c1-7-6-17-11(10(7)13)12(16)15-9-4-2-8(14)3-5-9/h2-6H,1H3,(H,15,16)
InChIKeyRGCYFNNEHXQVEQ-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.63
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 114258897
5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
CID 103400124
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide
CID 103401608
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103526991
3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103577794
N-[3-(bromomethyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406036
1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea
CID 25226527
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103404204
3-chloro-4-[(3-chloro-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 103400150
3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 103402001
3-chloro-4-methyl-N-(2-sulfamoylphenyl)thiophene-2-carboxamide
CID 103405087

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide (CID 103401913) is 3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2ccc(I)cc2)c1Cl.
What is the InChIKey of 3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is RGCYFNNEHXQVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINOS/c1-7-6-17-11(10(7)13)12(16)15-9-4-2-8(14)3-5-9/h2-6H,1H3,(H,15,16).
What are the key properties of 3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide?
3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 377.63 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103401913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).