methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate

C11H14N2O6S — CID 114465514

IUPACmethyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate
SMILESCOC(=O)NS(=O)(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C11H14N2O6S/c1-18-10(14)9(8-6-4-3-5-7-8)12-20(16,17)13-11(15)19-2/h3-7,9,12H,1-2H3,(H,13,15)
InChIKeyKVHJFUOTGAWAIA-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.09
Rot. Bonds5

About methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate

methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate (PubChem CID 114465514) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate
PubChem CID114465514
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Namemethyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate
SMILESCOC(=O)NS(=O)(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C11H14N2O6S/c1-18-10(14)9(8-6-4-3-5-7-8)12-20(16,17)13-11(15)19-2/h3-7,9,12H,1-2H3,(H,13,15)
InChIKeyKVHJFUOTGAWAIA-UHFFFAOYSA-N
XLogP0.09
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate (CID 114465514) is methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate is COC(=O)NS(=O)(=O)NC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate?
The InChIKey is KVHJFUOTGAWAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-18-10(14)9(8-6-4-3-5-7-8)12-20(16,17)13-11(15)19-2/h3-7,9,12H,1-2H3,(H,13,15).
What are the key properties of methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate?
methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate has a molecular weight of 302.31 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate is sourced from PubChem (CID 114465514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).