3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide

C12H16N2O4S — CID 63166159

IUPAC3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccccc1NC1(C(N)=O)CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O4S/c1-18-10-5-3-2-4-9(10)14-12(11(13)15)6-7-19(16,17)8-12/h2-5,14H,6-8H2,1H3,(H2,13,15)
InChIKeyMBGLGGIOJHMRBJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.15
Rot. Bonds4

About 3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide

3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide (PubChem CID 63166159) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide
PubChem CID63166159
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccccc1NC1(C(N)=O)CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O4S/c1-18-10-5-3-2-4-9(10)14-12(11(13)15)6-7-19(16,17)8-12/h2-5,14H,6-8H2,1H3,(H2,13,15)
InChIKeyMBGLGGIOJHMRBJ-UHFFFAOYSA-N
XLogP0.15
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-bromoanilino)-1,1-dioxothiolane-3-carboxamide
CID 63166117
1-(2-methoxyanilino)cyclobutane-1-carboxamide
CID 60996883
3-(2-fluoroanilino)-1,1-dioxothiolane-3-carboxamide
CID 63166201
[3-(2-methoxyanilino)-1,1-dioxothiolan-3-yl]methanol
CID 63166531
4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320
methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505
methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
CID 54890268
1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449310
1-(2-methoxyphenyl)-3-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 51414995
methyl 4-(2-methoxyanilino)piperidine-4-carboxylate
CID 61245036
ethyl 3-(2-methoxyanilino)thiolane-3-carboxylate
CID 54890456
ethane;(2-methoxyphenyl)urea
CID 143063924

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of 3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide (CID 63166159) is 3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for 3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for 3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide is COc1ccccc1NC1(C(N)=O)CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is MBGLGGIOJHMRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-18-10-5-3-2-4-9(10)14-12(11(13)15)6-7-19(16,17)8-12/h2-5,14H,6-8H2,1H3,(H2,13,15).
What are the key properties of 3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide?
3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 63166159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).