N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide

C17H17ClN2O2S — CID 833416

IUPACN-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-11-14(18)4-3-5-15(11)19-17(23)20-16(21)10-12-6-8-13(22-2)9-7-12/h3-9H,10H2,1-2H3,(H2,19,20,21,23)
InChIKeyUZAQXYYZVJMHQN-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.71
Rot. Bonds4

About N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide

N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 833416) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
PubChem CID833416
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC NameN-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-11-14(18)4-3-5-15(11)19-17(23)20-16(21)10-12-6-8-13(22-2)9-7-12/h3-9H,10H2,1-2H3,(H2,19,20,21,23)
InChIKeyUZAQXYYZVJMHQN-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556272
N-[(3-chloro-2-methylphenyl)carbamothioyl]butanamide
CID 916614
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
N-[(3-chloro-2-methylphenyl)carbamothioyl]-4-(4-chlorophenoxy)butanamide
CID 19188878
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4937998
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 916544
N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4925407
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113018700
2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 63589257
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide
CID 17131022
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963070

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide (CID 833416) is N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(=S)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is UZAQXYYZVJMHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-11-14(18)4-3-5-15(11)19-17(23)20-16(21)10-12-6-8-13(22-2)9-7-12/h3-9H,10H2,1-2H3,(H2,19,20,21,23).
What are the key properties of N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 348.86 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 833416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).