2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone

C18H17NO2S — CID 130430007

IUPAC2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone
SMILESO=C(C(=S)N1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO2S/c20-17(18(22)19-10-12-21-13-11-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyZFPKMDOCVBNFGX-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.20
Rot. Bonds3

About 2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone

2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone (PubChem CID 130430007) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone
PubChem CID130430007
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone
SMILESO=C(C(=S)N1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO2S/c20-17(18(22)19-10-12-21-13-11-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyZFPKMDOCVBNFGX-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-morpholin-4-yl-2-sulfanylideneacetyl)benzonitrile
CID 130429938
1-phenyl-2-pyrrolidin-1-yl-2-sulfanylideneethanone
CID 102205481
3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917217
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
2-morpholin-4-yl-1-(3-nitrophenyl)-2-sulfanylideneethanone
CID 130429937
bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)
CID 139194609
4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine
CID 122228206
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
[4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 780934
[4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 4519819
(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone?
The IUPAC name of 2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone (CID 130430007) is 2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone?
The canonical SMILES for 2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone is O=C(C(=S)N1CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone?
The InChIKey is ZFPKMDOCVBNFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c20-17(18(22)19-10-12-21-13-11-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone?
2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone has a molecular weight of 311.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone is sourced from PubChem (CID 130430007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).