N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide

C18H18Cl2N2O2S — CID 17140531

IUPACN-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O2S/c1-11(2)10-24-16-5-3-4-12(6-16)17(23)22-18(25)21-15-8-13(19)7-14(20)9-15/h3-9,11H,10H2,1-2H3,(H2,21,22,23,25)
InChIKeyBSOIMQDJRQMKCZ-UHFFFAOYSA-N
MW397.33 g/mol
LogP5.16
Rot. Bonds5

About N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide

N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide (PubChem CID 17140531) has the molecular formula C18H18Cl2N2O2S and a molecular weight of 397.33 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
PubChem CID17140531
Molecular FormulaC18H18Cl2N2O2S
Molecular Weight397.33 g/mol
Exact Mass396.05
IUPAC NameN-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O2S/c1-11(2)10-24-16-5-3-4-12(6-16)17(23)22-18(25)21-15-8-13(19)7-14(20)9-15/h3-9,11H,10H2,1-2H3,(H2,21,22,23,25)
InChIKeyBSOIMQDJRQMKCZ-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-[(3,5-dichlorophenyl)carbamothioyl]-3-(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-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17099390
3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 4957755
3,5-dichloro-2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoic acid
CID 3280420
3-(2-methylpropoxy)-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17140677
N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide
CID 17139843
N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17202804
methyl 2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate
CID 17140602
3-(2-methylpropoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17219220
3-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26168288
N-(2-hydroxypropylcarbamothioyl)-3-(2-methylpropoxy)benzamide
CID 17161995
2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-phenylbenzamide
CID 17140529
3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 2279775

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide (CID 17140531) is N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is BSOIMQDJRQMKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2S/c1-11(2)10-24-16-5-3-4-12(6-16)17(23)22-18(25)21-15-8-13(19)7-14(20)9-15/h3-9,11H,10H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide?
N-[(3,5-dichlorophenyl)carbamothioyl]-3-(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-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17140531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).