N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide

C19H17NO5S — CID 7346492

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO5S/c21-17(13-4-2-1-3-5-13)18(22)14-6-8-15(9-7-14)19(23)20-16-10-11-26(24,25)12-16/h1-9,16H,10-12H2,(H,20,23)/t16-/m0/s1
InChIKeyQJYJDGJCFPQOSZ-INIZCTEOSA-N
MW371.41 g/mol
LogP1.67
Rot. Bonds5

About N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide

N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide (PubChem CID 7346492) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
PubChem CID7346492
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO5S/c21-17(13-4-2-1-3-5-13)18(22)14-6-8-15(9-7-14)19(23)20-16-10-11-26(24,25)12-16/h1-9,16H,10-12H2,(H,20,23)/t16-/m0/s1
InChIKeyQJYJDGJCFPQOSZ-INIZCTEOSA-N
XLogP1.67
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide 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

N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
N-(1,1-dioxothiolan-3-yl)-4-(trifluoromethyl)benzamide
CID 17475086
4-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7123831
4-cyano-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7123830
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
4-N-(1,1-dioxothiolan-3-yl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047168
3-N-(1,1-dioxothiolan-3-yl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055261
N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide
CID 7164305
4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109058398
N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyridin-2-ylsulfanylbenzamide
CID 94796018
1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109055580

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide (CID 7346492) is N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(C(=O)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide?
The InChIKey is QJYJDGJCFPQOSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17NO5S/c21-17(13-4-2-1-3-5-13)18(22)14-6-8-15(9-7-14)19(23)20-16-10-11-26(24,25)12-16/h1-9,16H,10-12H2,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide has a molecular weight of 371.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide is sourced from PubChem (CID 7346492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).