[2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate

C14H20N2O5S2 — CID 7982750

IUPAC[2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
SMILESCNC(=O)COC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O5S2/c1-15-13(17)10-21-14(18)12(8-9-22-2)16-23(19,20)11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyQEWJZIMHAIHHCF-LBPRGKRZSA-N
MW360.46 g/mol
LogP0.38
Rot. Bonds9

About [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate

[2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate (PubChem CID 7982750) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
PubChem CID7982750
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name[2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
SMILESCNC(=O)COC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O5S2/c1-15-13(17)10-21-14(18)12(8-9-22-2)16-23(19,20)11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyQEWJZIMHAIHHCF-LBPRGKRZSA-N
XLogP0.38
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982765
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
[2-(dimethylamino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982744
[2-(2,6-dimethylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 2409511
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55324138
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55324115
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 4685879
[2-oxo-2-(N-propan-2-ylanilino)ethyl] (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 41101684
2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide
CID 51149693
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55539274
(3,3-dimethyl-2-oxobutyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2097174
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55705125

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate (CID 7982750) is [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate is CNC(=O)COC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
The InChIKey is QEWJZIMHAIHHCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-15-13(17)10-21-14(18)12(8-9-22-2)16-23(19,20)11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
[2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate has a molecular weight of 360.46 g/mol, XLogP of 0.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate is sourced from PubChem (CID 7982750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).