2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid

C11H14N2O6S2 — CID 115575110

IUPAC2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)CSCC(=O)O
InChIInChI=1S/C11H14N2O6S2/c1-19-9-3-2-7(21(12,17)18)4-8(9)13-10(14)5-20-6-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyRMOQNOASSLJYAX-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.10
Rot. Bonds7

About 2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid

2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid (PubChem CID 115575110) has the molecular formula C11H14N2O6S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
PubChem CID115575110
Molecular FormulaC11H14N2O6S2
Molecular Weight334.38 g/mol
Exact Mass334.03
IUPAC Name2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)CSCC(=O)O
InChIInChI=1S/C11H14N2O6S2/c1-19-9-3-2-7(21(12,17)18)4-8(9)13-10(14)5-20-6-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyRMOQNOASSLJYAX-UHFFFAOYSA-N
XLogP0.10
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569457
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
CID 81070768
2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
CID 79473829
N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
N-(2-methoxy-5-sulfamoylphenyl)furan-3-carboxamide
CID 47129641
N-(2-methoxy-5-sulfamoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51281096
3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
CID 51281176
2-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569170

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid (CID 115575110) is 2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid is COc1ccc(S(N)(=O)=O)cc1NC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is RMOQNOASSLJYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S2/c1-19-9-3-2-7(21(12,17)18)4-8(9)13-10(14)5-20-6-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18).
What are the key properties of 2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid?
2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 334.38 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 115575110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).