methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate

C20H24N2O6S2 — CID 25340152

IUPACmethyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate
SMILESCOC(=O)[C@H](CCSC)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C20H24N2O6S2/c1-27-18-10-5-4-9-16(18)22-30(25,26)15-8-6-7-14(13-15)19(23)21-17(11-12-29-3)20(24)28-2/h4-10,13,17,22H,11-12H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyCDWQIAFXJSPDBY-KRWDZBQOSA-N
MW452.55 g/mol
LogP2.52
Rot. Bonds10

About methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate

methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate (PubChem CID 25340152) has the molecular formula C20H24N2O6S2 and a molecular weight of 452.55 g/mol. Its IUPAC name is methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate
PubChem CID25340152
Molecular FormulaC20H24N2O6S2
Molecular Weight452.55 g/mol
Exact Mass452.11
IUPAC Namemethyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate
SMILESCOC(=O)[C@H](CCSC)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C20H24N2O6S2/c1-27-18-10-5-4-9-16(18)22-30(25,26)15-8-6-7-14(13-15)19(23)21-17(11-12-29-3)20(24)28-2/h4-10,13,17,22H,11-12H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyCDWQIAFXJSPDBY-KRWDZBQOSA-N
XLogP2.52
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 167976299
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 24622460
[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
CID 2520940
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 51185857
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 55394039
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55483987
[2-(2-methoxyanilino)-2-oxoethyl] 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate
CID 55323985

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate?
The IUPAC name of methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate (CID 25340152) is methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate.
What is the SMILES notation for methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate?
The canonical SMILES for methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate is COC(=O)[C@H](CCSC)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1.
What is the InChIKey of methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate?
The InChIKey is CDWQIAFXJSPDBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O6S2/c1-27-18-10-5-4-9-16(18)22-30(25,26)15-8-6-7-14(13-15)19(23)21-17(11-12-29-3)20(24)28-2/h4-10,13,17,22H,11-12H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate?
methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate has a molecular weight of 452.55 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-4-methylsulfanylbutanoate is sourced from PubChem (CID 25340152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).