N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide

C18H20N2O3S — CID 17340536

IUPACN-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide
SMILESCOCCOc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-13-3-5-14(6-4-13)17(21)20-18(24)19-15-7-9-16(10-8-15)23-12-11-22-2/h3-10H,11-12H2,1-2H3,(H2,19,20,21,24)
InChIKeyUEPFLOYLQYFEKC-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.15
Rot. Bonds6

About N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide

N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide (PubChem CID 17340536) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide
PubChem CID17340536
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide
SMILESCOCCOc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-13-3-5-14(6-4-13)17(21)20-18(24)19-15-7-9-16(10-8-15)23-12-11-22-2/h3-10H,11-12H2,1-2H3,(H2,19,20,21,24)
InChIKeyUEPFLOYLQYFEKC-UHFFFAOYSA-N
XLogP3.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.15
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'}

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Related Compounds

methyl 4-[[4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17353758
4-methyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 4950008
ethyl 4-[[4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17353721
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787
N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656
4-[(4-butoxybenzoyl)carbamothioylamino]-N-methylbenzamide
CID 28642930
N-[(4-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977
ethyl 4-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17112872
4-[(4-butoxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17218467
N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[(4-iodophenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4952972

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide (CID 17340536) is N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide is COCCOc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide?
The InChIKey is UEPFLOYLQYFEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-3-5-14(6-4-13)17(21)20-18(24)19-15-7-9-16(10-8-15)23-12-11-22-2/h3-10H,11-12H2,1-2H3,(H2,19,20,21,24).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide?
N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide is sourced from PubChem (CID 17340536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).