N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide

C20H24N2O2S — CID 108515194

IUPACN-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-3-14-22(15-4-2)20(24)19(23)21-17-12-8-9-13-18(17)25-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,21,23)
InChIKeyNNBKGVYLARPDEA-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.42
Rot. Bonds7

About N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide

N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide (PubChem CID 108515194) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide
PubChem CID108515194
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-3-14-22(15-4-2)20(24)19(23)21-17-12-8-9-13-18(17)25-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,21,23)
InChIKeyNNBKGVYLARPDEA-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108509806
N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide
CID 108515113
methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108512458
N-(2-ethoxyphenyl)-N',N'-dipropyloxamide
CID 108528706
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229
2-amino-N-(2-phenylsulfanylphenyl)pentanamide
CID 61253814
1-pentan-3-yl-3-(2-phenylsulfanylphenyl)urea
CID 108888275
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] N,N-diethylcarbamodithioate
CID 7841574
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515179

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide (CID 108515194) is N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide is CCCN(CCC)C(=O)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide?
The InChIKey is NNBKGVYLARPDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-3-14-22(15-4-2)20(24)19(23)21-17-12-8-9-13-18(17)25-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,21,23).
What are the key properties of N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide?
N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide has a molecular weight of 356.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide is sourced from PubChem (CID 108515194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).