N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide

C14H11IN2O2S — CID 107731512

IUPACN-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
SMILESNC(=S)c1ccc(NC(=O)c2cc(I)ccc2O)cc1
InChIInChI=1S/C14H11IN2O2S/c15-9-3-6-12(18)11(7-9)14(19)17-10-4-1-8(2-5-10)13(16)20/h1-7,18H,(H2,16,20)(H,17,19)
InChIKeyRHPZNDCDQNCYGX-UHFFFAOYSA-N
MW398.23 g/mol
LogP2.88
Rot. Bonds3

About N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide

N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide (PubChem CID 107731512) has the molecular formula C14H11IN2O2S and a molecular weight of 398.23 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
PubChem CID107731512
Molecular FormulaC14H11IN2O2S
Molecular Weight398.23 g/mol
Exact Mass397.96
IUPAC NameN-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
SMILESNC(=S)c1ccc(NC(=O)c2cc(I)ccc2O)cc1
InChIInChI=1S/C14H11IN2O2S/c15-9-3-6-12(18)11(7-9)14(19)17-10-4-1-8(2-5-10)13(16)20/h1-7,18H,(H2,16,20)(H,17,19)
InChIKeyRHPZNDCDQNCYGX-UHFFFAOYSA-N
XLogP2.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
CID 107789533
4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide
CID 86118799
N-(4-carbamothioylphenyl)-4-fluoro-2-hydroxybenzamide
CID 107014847
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
2-hydroxy-5-iodo-N-naphthalen-2-ylbenzamide
CID 103602016
N-[4-(difluoromethoxy)phenyl]-2-hydroxy-5-iodobenzamide
CID 34273440
N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602066
2-hydroxy-5-iodo-N-(1H-pyrazol-5-yl)benzamide
CID 103710669
N-(4-carbamothioylphenyl)-5-iodothiophene-3-carboxamide
CID 79693852
N-(3-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602012
2-bromo-N-(4-carbamothioylphenyl)benzamide
CID 24690668
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide (CID 107731512) is N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide is NC(=S)c1ccc(NC(=O)c2cc(I)ccc2O)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide?
The InChIKey is RHPZNDCDQNCYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O2S/c15-9-3-6-12(18)11(7-9)14(19)17-10-4-1-8(2-5-10)13(16)20/h1-7,18H,(H2,16,20)(H,17,19).
What are the key properties of N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide?
N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide has a molecular weight of 398.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107731512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).