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

C17H16Cl2N2O3S — CID 17355875

IUPACN-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c1-23-8-9-24-15-5-3-2-4-12(15)16(22)21-17(25)20-14-7-6-11(18)10-13(14)19/h2-7,10H,8-9H2,1H3,(H2,20,21,22,25)
InChIKeyHSYNWJJFWICFCM-UHFFFAOYSA-N
MW399.30 g/mol
LogP4.15
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide (PubChem CID 17355875) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
PubChem CID17355875
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC NameN-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c1-23-8-9-24-15-5-3-2-4-12(15)16(22)21-17(25)20-14-7-6-11(18)10-13(14)19/h2-7,10H,8-9H2,1H3,(H2,20,21,22,25)
InChIKeyHSYNWJJFWICFCM-UHFFFAOYSA-N
XLogP4.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)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

2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 17355950
N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355885
N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954259
N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-hexoxybenzamide
CID 4942754
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide
CID 56530719
5-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17350952
5-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]-2-hexoxybenzamide
CID 17343583
2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093705
N-[(2-cyanophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355902
2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 1226903
N-[(4-chloro-2-nitrophenyl)carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628518

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide (CID 17355875) is N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide is COCCOc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide?
The InChIKey is HSYNWJJFWICFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c1-23-8-9-24-15-5-3-2-4-12(15)16(22)21-17(25)20-14-7-6-11(18)10-13(14)19/h2-7,10H,8-9H2,1H3,(H2,20,21,22,25).
What are the key properties of N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide?
N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide has a molecular weight of 399.30 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17355875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).