[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate

C20H24N2O5S — CID 7247748

IUPAC[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
SMILESCC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O5S/c1-14(2)15(3)21-19(23)13-27-20(24)16-8-7-9-17(12-16)22-28(25,26)18-10-5-4-6-11-18/h4-12,14-15,22H,13H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyHWEIFAMAMYSHQP-OAHLLOKOSA-N
MW404.49 g/mol
LogP2.80
Rot. Bonds8

About [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate (PubChem CID 7247748) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate.

Molecular Properties

Compound Name[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
PubChem CID7247748
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
SMILESCC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O5S/c1-14(2)15(3)21-19(23)13-27-20(24)16-8-7-9-17(12-16)22-28(25,26)18-10-5-4-6-11-18/h4-12,14-15,22H,13H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyHWEIFAMAMYSHQP-OAHLLOKOSA-N
XLogP2.80
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate with MolForge

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Related Compounds

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247756
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247757
(2-amino-2-oxoethyl) 3-(benzenesulfonamido)benzoate
CID 7249323
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42968334
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
CID 2570571
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 55313712
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 42976669
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8521030
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 42971821
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247767
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 42967832

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate?
The IUPAC name of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate (CID 7247748) is [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate.
What is the SMILES notation for [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate?
The canonical SMILES for [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate is CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate?
The InChIKey is HWEIFAMAMYSHQP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14(2)15(3)21-19(23)13-27-20(24)16-8-7-9-17(12-16)22-28(25,26)18-10-5-4-6-11-18/h4-12,14-15,22H,13H2,1-3H3,(H,21,23)/t15-/m1/s1.
What are the key properties of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate?
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate has a molecular weight of 404.49 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(benzenesulfonamido)benzoate is sourced from PubChem (CID 7247748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).