N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide

C12H15ClINOS — CID 106132272

IUPACN-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
SMILESO=C(NCC1CCCC(Cl)C1)c1csc(I)c1
InChIInChI=1S/C12H15ClINOS/c13-10-3-1-2-8(4-10)6-15-12(16)9-5-11(14)17-7-9/h5,7-8,10H,1-4,6H2,(H,15,16)
InChIKeyYTFWPUKRERHZKM-UHFFFAOYSA-N
MW383.68 g/mol
LogP3.88
Rot. Bonds3

About N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide

N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide (PubChem CID 106132272) has the molecular formula C12H15ClINOS and a molecular weight of 383.68 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
PubChem CID106132272
Molecular FormulaC12H15ClINOS
Molecular Weight383.68 g/mol
Exact Mass382.96
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
SMILESO=C(NCC1CCCC(Cl)C1)c1csc(I)c1
InChIInChI=1S/C12H15ClINOS/c13-10-3-1-2-8(4-10)6-15-12(16)9-5-11(14)17-7-9/h5,7-8,10H,1-4,6H2,(H,15,16)
InChIKeyYTFWPUKRERHZKM-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-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-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345
5-iodo-N-(thian-4-ylmethyl)thiophene-3-carboxamide
CID 115625132
5-iodo-N-[(1-methylpiperidin-4-yl)methyl]thiophene-3-carboxamide
CID 78949608
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106132319
N-[(3-chlorocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106132172
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
CID 78950614
N-[(3-chlorocyclohexyl)methyl]-3-fluoro-5-methylbenzamide
CID 106132483
N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114147636
3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide
CID 106132295
N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 106132053
5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide
CID 71844646

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide (CID 106132272) is N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide is O=C(NCC1CCCC(Cl)C1)c1csc(I)c1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide?
The InChIKey is YTFWPUKRERHZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClINOS/c13-10-3-1-2-8(4-10)6-15-12(16)9-5-11(14)17-7-9/h5,7-8,10H,1-4,6H2,(H,15,16).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide?
N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide has a molecular weight of 383.68 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 106132272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).