N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide

C20H20N2O2S — CID 3596529

IUPACN-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide
SMILESCC1(NC(=O)Cc2ccccc2)C(=O)N2CCSC21c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-19(21-17(23)14-15-8-4-2-5-9-15)18(24)22-12-13-25-20(19,22)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,23)
InChIKeyXREQXVPCTQXAKR-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.55
Rot. Bonds4

About N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide

N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide (PubChem CID 3596529) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide
PubChem CID3596529
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide
SMILESCC1(NC(=O)Cc2ccccc2)C(=O)N2CCSC21c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-19(21-17(23)14-15-8-4-2-5-9-15)18(24)22-12-13-25-20(19,22)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,23)
InChIKeyXREQXVPCTQXAKR-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-thiomorpholin-4-ylacetamide
CID 67639755
(6R)-7-methoxy-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid
CID 70635867
N-[(6R)-2-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide
CID 134260107
N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide
CID 595534
7-oxo-6-[(2-phenylacetyl)amino]-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-1-carboxylic acid
CID 57302732
methyl (5R)-3-(iodomethyl)-3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70610302
2-(4-nitrophenyl)-N-(1-phenylcyclobutyl)acetamide
CID 51273047
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
methyl (2S,5R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70367326
(6R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 70540972

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide?
The IUPAC name of N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide (CID 3596529) is N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide.
What is the SMILES notation for N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide?
The canonical SMILES for N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide is CC1(NC(=O)Cc2ccccc2)C(=O)N2CCSC21c1ccccc1.
What is the InChIKey of N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide?
The InChIKey is XREQXVPCTQXAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-19(21-17(23)14-15-8-4-2-5-9-15)18(24)22-12-13-25-20(19,22)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,21,23).
What are the key properties of N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide?
N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide has a molecular weight of 352.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-7-oxo-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-2-phenylacetamide is sourced from PubChem (CID 3596529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).