2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide

C23H22N2O2S — CID 17142302

IUPAC2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C23H22N2O2S/c26-22(16-19-10-5-2-6-11-19)25-23(28)24-20-12-7-13-21(17-20)27-15-14-18-8-3-1-4-9-18/h1-13,17H,14-16H2,(H2,24,25,26,28)
InChIKeyRVFWIBMLAYXTIZ-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.36
Rot. Bonds7

About 2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide

2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide (PubChem CID 17142302) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
PubChem CID17142302
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C23H22N2O2S/c26-22(16-19-10-5-2-6-11-19)25-23(28)24-20-12-7-13-21(17-20)27-15-14-18-8-3-1-4-9-18/h1-13,17H,14-16H2,(H2,24,25,26,28)
InChIKeyRVFWIBMLAYXTIZ-UHFFFAOYSA-N
XLogP4.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142296
2,2,2-trifluoro-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 174481521
3-(2-phenoxyethoxy)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17142352
2-phenylethyl 4-oxo-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate
CID 17133389
3-(2-phenylethoxy)-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17134789
(E)-3-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]prop-2-enamide
CID 17142289
N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628562
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142390
5-methyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]-1,2-oxazole-3-carboxamide
CID 10452442
N-[(3-chlorophenyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134563
(E)-3-(4-chlorophenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]prop-2-enamide
CID 17195817

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide?
The IUPAC name of 2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide (CID 17142302) is 2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide?
The canonical SMILES for 2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide is O=C(Cc1ccccc1)NC(=S)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide?
The InChIKey is RVFWIBMLAYXTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-22(16-19-10-5-2-6-11-19)25-23(28)24-20-12-7-13-21(17-20)27-15-14-18-8-3-1-4-9-18/h1-13,17H,14-16H2,(H2,24,25,26,28).
What are the key properties of 2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide?
2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 17142302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).