N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

C18H18Cl2N2O2S — CID 4937480

IUPACN-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2S/c1-11(2)10-24-13-8-6-12(7-9-13)17(23)22-18(25)21-15-5-3-4-14(19)16(15)20/h3-9,11H,10H2,1-2H3,(H2,21,22,23,25)
InChIKeyVSKMHPQKNDZFOP-UHFFFAOYSA-N
MW397.33 g/mol
LogP5.16
Rot. Bonds5

About N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide (PubChem CID 4937480) has the molecular formula C18H18Cl2N2O2S and a molecular weight of 397.33 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
PubChem CID4937480
Molecular FormulaC18H18Cl2N2O2S
Molecular Weight397.33 g/mol
Exact Mass396.05
IUPAC NameN-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2S/c1-11(2)10-24-13-8-6-12(7-9-13)17(23)22-18(25)21-15-5-3-4-14(19)16(15)20/h3-9,11H,10H2,1-2H3,(H2,21,22,23,25)
InChIKeyVSKMHPQKNDZFOP-UHFFFAOYSA-N
XLogP5.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.33
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide 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

N-[(2,3-dichlorophenyl)carbamothioyl]-4-hexoxybenzamide
CID 4934038
N-[(2,3-dichlorophenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945953
N-methyl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 17354128
N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 22776079
4-(2-methylpropoxy)-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3413921
N,N-dimethyl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 4937584
4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074352
4-(2-methylpropoxy)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 4937538
N-butan-2-yl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 17151378
N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide
CID 1227601
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937376
N-[(4-benzamidophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17235735

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide (CID 4937480) is N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is VSKMHPQKNDZFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2S/c1-11(2)10-24-13-8-6-12(7-9-13)17(23)22-18(25)21-15-5-3-4-14(19)16(15)20/h3-9,11H,10H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 397.33 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4937480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).