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

C16H22N2O5S2 — CID 7982765

IUPAC[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
SMILESCSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C16H22N2O5S2/c1-24-10-9-14(16(20)23-11-15(19)17-12-7-8-12)18-25(21,22)13-5-3-2-4-6-13/h2-6,12,14,18H,7-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyAOUXGPRPZPKBPR-AWEZNQCLSA-N
MW386.50 g/mol
LogP0.91
Rot. Bonds10

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

[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate (PubChem CID 7982765) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
PubChem CID7982765
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
SMILESCSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C16H22N2O5S2/c1-24-10-9-14(16(20)23-11-15(19)17-12-7-8-12)18-25(21,22)13-5-3-2-4-6-13/h2-6,12,14,18H,7-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyAOUXGPRPZPKBPR-AWEZNQCLSA-N
XLogP0.91
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982750
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-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide
CID 112760371
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate
CID 7951843
N-[1-[4-(methylamino)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide;hydrochloride
CID 119559965
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 4685879
N-[1-(3-methylpiperidin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 51149469
[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-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate (CID 7982765) is [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate is CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
The InChIKey is AOUXGPRPZPKBPR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c1-24-10-9-14(16(20)23-11-15(19)17-12-7-8-12)18-25(21,22)13-5-3-2-4-6-13/h2-6,12,14,18H,7-11H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate has a molecular weight of 386.50 g/mol, XLogP of 0.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate is sourced from PubChem (CID 7982765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).