N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide

C16H15IN2O2S — CID 1259324

IUPACN-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1I
InChIInChI=1S/C16H15IN2O2S/c1-10-6-5-7-11(14(10)21-2)15(20)19-16(22)18-13-9-4-3-8-12(13)17/h3-9H,1-2H3,(H2,18,19,20,22)
InChIKeyHDCLGYFMZBLSMW-UHFFFAOYSA-N
MW426.28 g/mol
LogP3.74
Rot. Bonds3

About N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide

N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide (PubChem CID 1259324) has the molecular formula C16H15IN2O2S and a molecular weight of 426.28 g/mol. Its IUPAC name is N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
PubChem CID1259324
Molecular FormulaC16H15IN2O2S
Molecular Weight426.28 g/mol
Exact Mass425.99
IUPAC NameN-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1I
InChIInChI=1S/C16H15IN2O2S/c1-10-6-5-7-11(14(10)21-2)15(20)19-16(22)18-13-9-4-3-8-12(13)17/h3-9H,1-2H3,(H2,18,19,20,22)
InChIKeyHDCLGYFMZBLSMW-UHFFFAOYSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 53.74
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'}

Analyze N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide 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

2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17099552
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17100406
methyl 2-[(2-iodobenzoyl)carbamothioylamino]benzoate
CID 1048295
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 2235183
2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 2995398
N-(benzylcarbamothioyl)-2-methoxy-3-methylbenzamide
CID 17100458
methyl 2-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoate
CID 22780655
2-methoxy-3-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 17101838
N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 1295574
N-[2-methoxy-4-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 17104937
2-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715
2-methyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 46760826

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide?
The IUPAC name of N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide (CID 1259324) is N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide is COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1I.
What is the InChIKey of N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide?
The InChIKey is HDCLGYFMZBLSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O2S/c1-10-6-5-7-11(14(10)21-2)15(20)19-16(22)18-13-9-4-3-8-12(13)17/h3-9H,1-2H3,(H2,18,19,20,22).
What are the key properties of N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide?
N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide has a molecular weight of 426.28 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 1259324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).