N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide

C20H24N2O5S — CID 17112879

IUPACN-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H24N2O5S/c1-4-26-11-12-27-15-7-5-14(6-8-15)19(23)22-20(28)21-17-13-16(24-2)9-10-18(17)25-3/h5-10,13H,4,11-12H2,1-3H3,(H2,21,22,23,28)
InChIKeySGBNDTMNDYOCRZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.25
Rot. Bonds9

About N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide

N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide (PubChem CID 17112879) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
PubChem CID17112879
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H24N2O5S/c1-4-26-11-12-27-15-7-5-14(6-8-15)19(23)22-20(28)21-17-13-16(24-2)9-10-18(17)25-3/h5-10,13H,4,11-12H2,1-3H3,(H2,21,22,23,28)
InChIKeySGBNDTMNDYOCRZ-UHFFFAOYSA-N
XLogP3.25
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 54792073
4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 17112903
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937376
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 817326
4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 17141512
3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 28701519
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-fluorobenzamide
CID 924135
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787
N-(2,5-dimethoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139561
N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 17100277
4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide
CID 17112844
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide (CID 17112879) is N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide is CCOCCOc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide?
The InChIKey is SGBNDTMNDYOCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-4-26-11-12-27-15-7-5-14(6-8-15)19(23)22-20(28)21-17-13-16(24-2)9-10-18(17)25-3/h5-10,13H,4,11-12H2,1-3H3,(H2,21,22,23,28).
What are the key properties of N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide?
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide has a molecular weight of 404.49 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17112879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).