1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide

C18H24N2O6S2 — CID 2362502

IUPAC1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
SMILESC[C@]1(NC(=O)c2ccccc2C(=O)N[C@@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O6S2/c1-17(7-9-27(23,24)11-17)19-15(21)13-5-3-4-6-14(13)16(22)20-18(2)8-10-28(25,26)12-18/h3-6H,7-12H2,1-2H3,(H,19,21)(H,20,22)/t17-,18-/m0/s1
InChIKeyPPUWQJRALLNPKB-ROUUACIJSA-N
MW428.53 g/mol
LogP0.30
Rot. Bonds4

About 1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide

1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide (PubChem CID 2362502) has the molecular formula C18H24N2O6S2 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
PubChem CID2362502
Molecular FormulaC18H24N2O6S2
Molecular Weight428.53 g/mol
Exact Mass428.11
IUPAC Name1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
SMILESC[C@]1(NC(=O)c2ccccc2C(=O)N[C@@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O6S2/c1-17(7-9-27(23,24)11-17)19-15(21)13-5-3-4-6-14(13)16(22)20-18(2)8-10-28(25,26)12-18/h3-6H,7-12H2,1-2H3,(H,19,21)(H,20,22)/t17-,18-/m0/s1
InChIKeyPPUWQJRALLNPKB-ROUUACIJSA-N
XLogP0.30
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide with MolForge

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Related Compounds

2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716580
2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 107358572
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide
CID 61275040
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
2-bromo-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 106853081
2-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63614767
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-oxochromene-3-carboxamide
CID 30414199
N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214741
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
2-chloro-4-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 78790417

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide (CID 2362502) is 1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide is C[C@]1(NC(=O)c2ccccc2C(=O)N[C@@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1.
What is the InChIKey of 1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide?
The InChIKey is PPUWQJRALLNPKB-ROUUACIJSA-N. The full InChI is InChI=1S/C18H24N2O6S2/c1-17(7-9-27(23,24)11-17)19-15(21)13-5-3-4-6-14(13)16(22)20-18(2)8-10-28(25,26)12-18/h3-6H,7-12H2,1-2H3,(H,19,21)(H,20,22)/t17-,18-/m0/s1.
What are the key properties of 1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide?
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide has a molecular weight of 428.53 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 2362502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).