N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide

C12H9ClINO2S — CID 113434669

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
SMILESO=C(NCc1ccc(Cl)s1)c1ccc(I)c(O)c1
InChIInChI=1S/C12H9ClINO2S/c13-11-4-2-8(18-11)6-15-12(17)7-1-3-9(14)10(16)5-7/h1-5,16H,6H2,(H,15,17)
InChIKeyULWUPICYHSKLHL-UHFFFAOYSA-N
MW393.63 g/mol
LogP3.64
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide

N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide (PubChem CID 113434669) has the molecular formula C12H9ClINO2S and a molecular weight of 393.63 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
PubChem CID113434669
Molecular FormulaC12H9ClINO2S
Molecular Weight393.63 g/mol
Exact Mass392.91
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
SMILESO=C(NCc1ccc(Cl)s1)c1ccc(I)c(O)c1
InChIInChI=1S/C12H9ClINO2S/c13-11-4-2-8(18-11)6-15-12(17)7-1-3-9(14)10(16)5-7/h1-5,16H,6H2,(H,15,17)
InChIKeyULWUPICYHSKLHL-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.63
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide 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

4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
CID 113228296
N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956442
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 104629295
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
CID 114344423
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-(3-hydroxyprop-1-ynyl)benzamide
CID 81292831
N-[(3-bromothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434715
3-[3-[(5-chlorothiophen-2-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 77033251
4-(benzenesulfonamido)-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 32831454
3-hydroxy-4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104628303
3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104627777

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide (CID 113434669) is N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide is O=C(NCc1ccc(Cl)s1)c1ccc(I)c(O)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide?
The InChIKey is ULWUPICYHSKLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClINO2S/c13-11-4-2-8(18-11)6-15-12(17)7-1-3-9(14)10(16)5-7/h1-5,16H,6H2,(H,15,17).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide has a molecular weight of 393.63 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 113434669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).