methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate

C10H13N3O5S — CID 127567461

IUPACmethyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H13N3O5S/c1-18-9(14)6-12-10(15)13-7-2-4-8(5-3-7)19(11,16)17/h2-5H,6H2,1H3,(H2,11,16,17)(H2,12,13,15)
InChIKeyINVFFBYTRZEAOL-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.37
Rot. Bonds4

About methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate

methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate (PubChem CID 127567461) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate
PubChem CID127567461
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Namemethyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H13N3O5S/c1-18-9(14)6-12-10(15)13-7-2-4-8(5-3-7)19(11,16)17/h2-5H,6H2,1H3,(H2,11,16,17)(H2,12,13,15)
InChIKeyINVFFBYTRZEAOL-UHFFFAOYSA-N
XLogP-0.37
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate?
The IUPAC name of methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate (CID 127567461) is methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate?
The canonical SMILES for methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate is COC(=O)CNC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate?
The InChIKey is INVFFBYTRZEAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-18-9(14)6-12-10(15)13-7-2-4-8(5-3-7)19(11,16)17/h2-5H,6H2,1H3,(H2,11,16,17)(H2,12,13,15).
What are the key properties of methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate?
methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate has a molecular weight of 287.30 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate is sourced from PubChem (CID 127567461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).