N-(dibenzylcarbamothioyl)-4-methoxybenzamide

C23H22N2O2S — CID 1318054

IUPACN-(dibenzylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-27-21-14-12-20(13-15-21)22(26)24-23(28)25(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,24,26,28)
InChIKeyBLSFWWQNJIEODB-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.41
Rot. Bonds6

About N-(dibenzylcarbamothioyl)-4-methoxybenzamide

N-(dibenzylcarbamothioyl)-4-methoxybenzamide (PubChem CID 1318054) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(dibenzylcarbamothioyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(dibenzylcarbamothioyl)-4-methoxybenzamide
PubChem CID1318054
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-(dibenzylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-27-21-14-12-20(13-15-21)22(26)24-23(28)25(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,24,26,28)
InChIKeyBLSFWWQNJIEODB-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Benzoyl-3-(3,4-dimethoxyphenethyl)-2-thiourea
CID 708448
4-(4-((Phenethylamino)methyl)phenoxy)benzamide
CID 44434950
N-(4-methoxybenzyl)biphenyl-4-carboxamide
CID 710674
N-[(4-methoxyphenyl)(2-phenylacetamido)methyl]-2-phenylacetamide
CID 991033
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
AN-329/40202919
CID 1070213
Benzamide, N,N'-(2,2-dimethyl-1,3-propanediyl)bis(4-methoxy-
CID 2850150
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311
N-benzyl-4-methoxybenzamide
CID 346035
3-[2-(4-Methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 8005518
N-(4-methyl-benzyl)-4-phenoxy-benzamide
CID 7916852

Frequently Asked Questions

What is the IUPAC name of N-(dibenzylcarbamothioyl)-4-methoxybenzamide?
The IUPAC name of N-(dibenzylcarbamothioyl)-4-methoxybenzamide (CID 1318054) is N-(dibenzylcarbamothioyl)-4-methoxybenzamide.
What is the SMILES notation for N-(dibenzylcarbamothioyl)-4-methoxybenzamide?
The canonical SMILES for N-(dibenzylcarbamothioyl)-4-methoxybenzamide is COc1ccc(C(=O)NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-(dibenzylcarbamothioyl)-4-methoxybenzamide?
The InChIKey is BLSFWWQNJIEODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-27-21-14-12-20(13-15-21)22(26)24-23(28)25(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,24,26,28).
What are the key properties of N-(dibenzylcarbamothioyl)-4-methoxybenzamide?
N-(dibenzylcarbamothioyl)-4-methoxybenzamide has a molecular weight of 390.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dibenzylcarbamothioyl)-4-methoxybenzamide is sourced from PubChem (CID 1318054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).