N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide

C15H11Cl2IN2O2S — CID 4633339

IUPACN-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1I
InChIInChI=1S/C15H11Cl2IN2O2S/c1-22-13-3-2-8(4-12(13)18)14(21)20-15(23)19-11-6-9(16)5-10(17)7-11/h2-7H,1H3,(H2,19,20,21,23)
InChIKeyRHLFISXEENEZQS-UHFFFAOYSA-N
MW481.14 g/mol
LogP4.73
Rot. Bonds3

About N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide

N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide (PubChem CID 4633339) has the molecular formula C15H11Cl2IN2O2S and a molecular weight of 481.14 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide
PubChem CID4633339
Molecular FormulaC15H11Cl2IN2O2S
Molecular Weight481.14 g/mol
Exact Mass479.90
IUPAC NameN-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1I
InChIInChI=1S/C15H11Cl2IN2O2S/c1-22-13-3-2-8(4-12(13)18)14(21)20-15(23)19-11-6-9(16)5-10(17)7-11/h2-7H,1H3,(H2,19,20,21,23)
InChIKeyRHLFISXEENEZQS-UHFFFAOYSA-N
XLogP4.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.14
LogP ≤ 54.73
H-Bond Donors ≤ 52
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-[(3,5-dichlorophenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 2278928
4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 1011353
N-[(3-acetamido-4-methylphenyl)carbamothioyl]-3-iodo-4-methoxybenzamide
CID 54777465
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-3-iodo-4-methoxybenzamide
CID 1014436
3-iodo-4-methoxy-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17219122
N-[(4-iodophenyl)carbamothioyl]-3,4-dimethoxybenzamide
CID 1181777
methyl 4-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate
CID 17178700
3-iodo-4-methoxy-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17194981
3-chloro-N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1139291
3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 2279775
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-iodo-4-methoxybenzamide
CID 3339263
N-[(2-bromo-4-methylphenyl)carbamothioyl]-3-iodo-4-methoxybenzamide
CID 54784411

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide?
The IUPAC name of N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide (CID 4633339) is N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide is COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1I.
What is the InChIKey of N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide?
The InChIKey is RHLFISXEENEZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2IN2O2S/c1-22-13-3-2-8(4-12(13)18)14(21)20-15(23)19-11-6-9(16)5-10(17)7-11/h2-7H,1H3,(H2,19,20,21,23).
What are the key properties of N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide?
N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide has a molecular weight of 481.14 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide is sourced from PubChem (CID 4633339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).