1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide

C19H20N2O5S — CID 109048157

IUPAC1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C(=O)NC3CCS(=O)(=O)C3)cc2)c1
InChIInChI=1S/C19H20N2O5S/c1-26-17-4-2-3-15(11-17)20-18(22)13-5-7-14(8-6-13)19(23)21-16-9-10-27(24,25)12-16/h2-8,11,16H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyLKOQLOFUSOGDGF-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.86
Rot. Bonds5

About 1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide

1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109048157) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109048157
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C(=O)NC3CCS(=O)(=O)C3)cc2)c1
InChIInChI=1S/C19H20N2O5S/c1-26-17-4-2-3-15(11-17)20-18(22)13-5-7-14(8-6-13)19(23)21-16-9-10-27(24,25)12-16/h2-8,11,16H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyLKOQLOFUSOGDGF-UHFFFAOYSA-N
XLogP1.86
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106519
N-(3-acetamidophenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42654442
N-(3-acetylphenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42655672
N-(1,1-dioxothiolan-3-yl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109372484
N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide
CID 7164305
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
CID 113028619
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088353
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18870054
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 51182938

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide (CID 109048157) is 1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide is COc1cccc(NC(=O)c2ccc(C(=O)NC3CCS(=O)(=O)C3)cc2)c1.
What is the InChIKey of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is LKOQLOFUSOGDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-26-17-4-2-3-15(11-17)20-18(22)13-5-7-14(8-6-13)19(23)21-16-9-10-27(24,25)12-16/h2-8,11,16H,9-10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).