1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide

C19H26N2O5S — CID 109149247

IUPAC1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(C(=O)NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H26N2O5S/c1-26-17-5-3-2-4-16(17)21-19(23)14-8-6-13(7-9-14)18(22)20-15-10-11-27(24,25)12-15/h2-5,13-15H,6-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyPSYGCNBILDIGIN-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.74
Rot. Bonds5

About 1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide

1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149247) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149247
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(C(=O)NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H26N2O5S/c1-26-17-5-3-2-4-16(17)21-19(23)14-8-6-13(7-9-14)18(22)20-15-10-11-27(24,25)12-15/h2-5,13-15H,6-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyPSYGCNBILDIGIN-UHFFFAOYSA-N
XLogP1.74
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
(3S)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 9083679
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenoxy)propanamide
CID 2908716
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
1-N-(5-chloro-2-methoxyphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138227
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109122803
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide (CID 109149247) is 1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide is COc1ccccc1NC(=O)C1CCC(C(=O)NC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is PSYGCNBILDIGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-26-17-5-3-2-4-16(17)21-19(23)14-8-6-13(7-9-14)18(22)20-15-10-11-27(24,25)12-15/h2-5,13-15H,6-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 394.49 g/mol, XLogP of 1.74, 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-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).