1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea

C12H16N2O4S — CID 3152350

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O4S/c1-18-11-5-3-2-4-10(11)14-12(15)13-9-6-7-19(16,17)8-9/h2-5,9H,6-8H2,1H3,(H2,13,14,15)
InChIKeyUTZNNQFNPUTNIX-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.00
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea

1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea (PubChem CID 3152350) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea
PubChem CID3152350
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O4S/c1-18-11-5-3-2-4-10(11)14-12(15)13-9-6-7-19(16,17)8-9/h2-5,9H,6-8H2,1H3,(H2,13,14,15)
InChIKeyUTZNNQFNPUTNIX-UHFFFAOYSA-N
XLogP1.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxyphenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 3152356
1-Cyclohexyl-3-(2-methoxyphenyl)urea
CID 307293
3-[(2-Ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea
CID 3289054
N-(2-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372216
N-methanesulfonyl-1-{[(2-methoxyphenyl)carbamoyl]amino}-N-pentylformamide
CID 2328338
N-[3-(butylthio)propyl]-N'-(3-methoxyphenyl)urea
CID 3238975
N-butyl-N-[({[(2-ethoxyphenyl)amino]carbonyl}amino)carbonyl]methanesulfonamide
CID 3242475
4-Amino-N-butyl-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 4278231
1-Cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
CID 4984577
N-(2-methoxyphenyl)-1-pyrrolidinecarboxamide
CID 6467997
N-ethyl-4-({[(2-methoxyphenyl)amino]carbonyl}amino)benzenesulfonamide
CID 6470771
1-(2-Methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
CID 162651162

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea (CID 3152350) is 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is UTZNNQFNPUTNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-18-11-5-3-2-4-10(11)14-12(15)13-9-6-7-19(16,17)8-9/h2-5,9H,6-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea?
1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 284.34 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 3152350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).