1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide

C19H20N2O4S — CID 109055580

IUPAC1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1)c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-21(17-8-3-2-4-9-17)19(23)15-7-5-6-14(12-15)18(22)20-16-10-11-26(24,25)13-16/h2-9,12,16H,10-11,13H2,1H3,(H,20,22)
InChIKeyDGQQZEKJNBIHJV-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.88
Rot. Bonds4

About 1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide

1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 109055580) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
PubChem CID109055580
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1)c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-21(17-8-3-2-4-9-17)19(23)15-7-5-6-14(12-15)18(22)20-16-10-11-26(24,25)13-16/h2-9,12,16H,10-11,13H2,1H3,(H,20,22)
InChIKeyDGQQZEKJNBIHJV-UHFFFAOYSA-N
XLogP1.88
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide with MolForge

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Related Compounds

3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308
3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110355698
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
3-N-(1,1-dioxothiolan-3-yl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055261
3-N-(1,1-dioxothiolan-3-yl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109055570
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
3-N-(1,1-dioxothiolan-3-yl)-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054366
3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106512
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
CID 95741050
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide (CID 109055580) is 1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide is CN(C(=O)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1)c1ccccc1.
What is the InChIKey of 1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is DGQQZEKJNBIHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-21(17-8-3-2-4-9-17)19(23)15-7-5-6-14(12-15)18(22)20-16-10-11-26(24,25)13-16/h2-9,12,16H,10-11,13H2,1H3,(H,20,22).
What are the key properties of 1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109055580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).