N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide

C18H20N2O3S — CID 13003888

IUPACN-[(2,5-diethoxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccc(OCC)c(NC(=S)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3S/c1-3-22-14-10-11-16(23-4-2)15(12-14)19-18(24)20-17(21)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H2,19,20,21,24)
InChIKeyVJUCRMXGRWDFOX-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.61
Rot. Bonds6

About N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide

N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide (PubChem CID 13003888) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2,5-diethoxyphenyl)carbamothioyl]benzamide
PubChem CID13003888
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(2,5-diethoxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccc(OCC)c(NC(=S)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3S/c1-3-22-14-10-11-16(23-4-2)15(12-14)19-18(24)20-17(21)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H2,19,20,21,24)
InChIKeyVJUCRMXGRWDFOX-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 28701519
N-[(4-ethoxy-2,5-dimethylphenyl)carbamothioyl]benzamide
CID 58910568
N-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913
3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 17139907
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxybenzamide
CID 4950954
3,4,5-triethoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1048249
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
methyl 2-[(3-ethoxybenzoyl)carbamothioylamino]benzoate
CID 4957681
3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid
CID 1327269
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide (CID 13003888) is N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide is CCOc1ccc(OCC)c(NC(=S)NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide?
The InChIKey is VJUCRMXGRWDFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-22-14-10-11-16(23-4-2)15(12-14)19-18(24)20-17(21)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H2,19,20,21,24).
What are the key properties of N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide?
N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 13003888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).