N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide

C17H17ClN2O3S — CID 17355885

IUPACN-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-22-10-11-23-15-5-3-2-4-14(15)16(21)20-17(24)19-13-8-6-12(18)7-9-13/h2-9H,10-11H2,1H3,(H2,19,20,21,24)
InChIKeyYSTADBAFUHYREQ-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.49
Rot. Bonds6

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

N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide (PubChem CID 17355885) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
PubChem CID17355885
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-22-10-11-23-15-5-3-2-4-14(15)16(21)20-17(24)19-13-8-6-12(18)7-9-13/h2-9H,10-11H2,1H3,(H2,19,20,21,24)
InChIKeyYSTADBAFUHYREQ-UHFFFAOYSA-N
XLogP3.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.49
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'}

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Related Compounds

N-[(4-chlorophenyl)carbamothioyl]-2-hexoxybenzamide
CID 4942457
N-[(4-chlorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944368
N-[(4-bromophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355891
N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355875
N-[(4-cyanophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355897
N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17231564
2-(2-methoxyethoxy)-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide
CID 17194322
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954528
2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
propyl 4-[[2-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17355916
2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 17355950
N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948583

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide (CID 17355885) is N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide is COCCOc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide?
The InChIKey is YSTADBAFUHYREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-22-10-11-23-15-5-3-2-4-14(15)16(21)20-17(24)19-13-8-6-12(18)7-9-13/h2-9H,10-11H2,1H3,(H2,19,20,21,24).
What are the key properties of N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide?
N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide has a molecular weight of 364.85 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17355885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).