N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide

C19H21ClN2O3S — CID 17122972

IUPACN-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1C
InChIInChI=1S/C19H21ClN2O3S/c1-3-24-11-12-25-17-10-5-4-7-14(17)18(23)22-19(26)21-16-9-6-8-15(20)13(16)2/h4-10H,3,11-12H2,1-2H3,(H2,21,22,23,26)
InChIKeyNEXOBMFRKHBVCM-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.19
Rot. Bonds7

About N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide

N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide (PubChem CID 17122972) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
PubChem CID17122972
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1C
InChIInChI=1S/C19H21ClN2O3S/c1-3-24-11-12-25-17-10-5-4-7-14(17)18(23)22-19(26)21-16-9-6-8-15(20)13(16)2/h4-10H,3,11-12H2,1-2H3,(H2,21,22,23,26)
InChIKeyNEXOBMFRKHBVCM-UHFFFAOYSA-N
XLogP4.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.19
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-[(2-bromophenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123016
N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123102
2-(2-ethoxyethoxy)-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17123104
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
N-benzyl-2-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17123042
N-(3-chloro-2-methylphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827342
2-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-ethyl-N-phenylbenzamide
CID 17186891
2-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 17123040
2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 17355950
2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123746

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide (CID 17122972) is N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide is CCOCCOc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1C.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide?
The InChIKey is NEXOBMFRKHBVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-3-24-11-12-25-17-10-5-4-7-14(17)18(23)22-19(26)21-16-9-6-8-15(20)13(16)2/h4-10H,3,11-12H2,1-2H3,(H2,21,22,23,26).
What are the key properties of N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide?
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide has a molecular weight of 392.91 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17122972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).