N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide

C18H19IN2O2S — CID 17104860

IUPACN-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
SMILESCc1cc(NC(=S)NC(=O)COc2ccccc2C)c(C)cc1I
InChIInChI=1S/C18H19IN2O2S/c1-11-6-4-5-7-16(11)23-10-17(22)21-18(24)20-15-9-12(2)14(19)8-13(15)3/h4-9H,10H2,1-3H3,(H2,20,21,22,24)
InChIKeyHPVFUIPPURDGSD-UHFFFAOYSA-N
MW454.33 g/mol
LogP4.11
Rot. Bonds4

About N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide

N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide (PubChem CID 17104860) has the molecular formula C18H19IN2O2S and a molecular weight of 454.33 g/mol. Its IUPAC name is N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
PubChem CID17104860
Molecular FormulaC18H19IN2O2S
Molecular Weight454.33 g/mol
Exact Mass454.02
IUPAC NameN-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
SMILESCc1cc(NC(=S)NC(=O)COc2ccccc2C)c(C)cc1I
InChIInChI=1S/C18H19IN2O2S/c1-11-6-4-5-7-16(11)23-10-17(22)21-18(24)20-15-9-12(2)14(19)8-13(15)3/h4-9H,10H2,1-3H3,(H2,20,21,22,24)
InChIKeyHPVFUIPPURDGSD-UHFFFAOYSA-N
XLogP4.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.33
LogP ≤ 54.11
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-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 833807
N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 17100301
N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 23096587
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 2229345
2-(2-methoxyphenoxy)-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4506420
2-(2,5-dimethylphenoxy)-N-[(2,4-dimethylphenyl)carbamothioyl]acetamide
CID 916665
N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3389667
N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 23961305
2-chloro-5-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
CID 4507057
ethyl 4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 4635289
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 28688628

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide (CID 17104860) is N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide is Cc1cc(NC(=S)NC(=O)COc2ccccc2C)c(C)cc1I.
What is the InChIKey of N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is HPVFUIPPURDGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O2S/c1-11-6-4-5-7-16(11)23-10-17(22)21-18(24)20-15-9-12(2)14(19)8-13(15)3/h4-9H,10H2,1-3H3,(H2,20,21,22,24).
What are the key properties of N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide?
N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 454.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 17104860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).