N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide

C19H17NO2S — CID 4287610

IUPACN-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide
SMILESO=C(NC1CCSC1=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2S/c21-18(20-17-11-12-23-19(17)22)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,13,17H,11-12H2,(H,20,21)
InChIKeyQWXYEUPWZFRFJV-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.38
Rot. Bonds4

About N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide

N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide (PubChem CID 4287610) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide
PubChem CID4287610
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC NameN-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide
SMILESO=C(NC1CCSC1=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2S/c21-18(20-17-11-12-23-19(17)22)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,13,17H,11-12H2,(H,20,21)
InChIKeyQWXYEUPWZFRFJV-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 5060325
(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 6260559
1-[(3S)-2-oxothiolan-3-yl]-3-phenylurea
CID 40598347
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide
CID 67845558
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
1,3-bis(2-oxothiolan-3-yl)urea
CID 110189672
3-(4-aminophenyl)-N-cyclododecyl-2-phenylprop-2-enamide
CID 54402620
3-(2-nitrophenyl)-N-(2-oxothiolan-3-yl)prop-2-enamide
CID 4100443
2-(2,3-dihydroindol-1-ylimino)-N-(2-oxothiolan-3-yl)propanamide
CID 3474281
(E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide
CID 133240414
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 108757184

Frequently Asked Questions

What is the IUPAC name of N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide?
The IUPAC name of N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide (CID 4287610) is N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide is O=C(NC1CCSC1=O)C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide?
The InChIKey is QWXYEUPWZFRFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c21-18(20-17-11-12-23-19(17)22)16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,13,17H,11-12H2,(H,20,21).
What are the key properties of N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide?
N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide has a molecular weight of 323.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxothiolan-3-yl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 4287610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).