5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid

C12H16N2O6S — CID 43374050

IUPAC5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1C(=O)O
InChIInChI=1S/C12H16N2O6S/c1-3-20-10-5-4-8(6-9(10)12(16)17)21(18,19)14(2)7-11(13)15/h4-6H,3,7H2,1-2H3,(H2,13,15)(H,16,17)
InChIKeyCDEJJRSTRDSXNA-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.11
Rot. Bonds7

About 5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid

5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid (PubChem CID 43374050) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid
PubChem CID43374050
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1C(=O)O
InChIInChI=1S/C12H16N2O6S/c1-3-20-10-5-4-8(6-9(10)12(16)17)21(18,19)14(2)7-11(13)15/h4-6H,3,7H2,1-2H3,(H2,13,15)(H,16,17)
InChIKeyCDEJJRSTRDSXNA-UHFFFAOYSA-N
XLogP-0.11
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid
CID 136547951
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
CID 103101553
ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate
CID 69465529
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 6461900
5-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 43215455
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
2-ethoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43327819
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-ethoxybenzoic acid
CID 65314855
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
N-[2-(azepan-1-yl)-2-oxoethyl]-4-ethoxy-N,3-dimethylbenzenesulfonamide
CID 45373770
2-bromo-5-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271131

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid (CID 43374050) is 5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid is CCOc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1C(=O)O.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid?
The InChIKey is CDEJJRSTRDSXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-3-20-10-5-4-8(6-9(10)12(16)17)21(18,19)14(2)7-11(13)15/h4-6H,3,7H2,1-2H3,(H2,13,15)(H,16,17).
What are the key properties of 5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid?
5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid has a molecular weight of 316.34 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid is sourced from PubChem (CID 43374050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).