[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate

C16H23N3O6S — CID 8574941

IUPAC[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H23N3O6S/c1-3-12(2)18-16(22)19-14(20)11-25-15(21)9-10-17-26(23,24)13-7-5-4-6-8-13/h4-8,12,17H,3,9-11H2,1-2H3,(H2,18,19,20,22)/t12-/m0/s1
InChIKeyLVTKVMGHHMYFKX-LBPRGKRZSA-N
MW385.44 g/mol
LogP0.52
Rot. Bonds9

About [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate (PubChem CID 8574941) has the molecular formula C16H23N3O6S and a molecular weight of 385.44 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate
PubChem CID8574941
Molecular FormulaC16H23N3O6S
Molecular Weight385.44 g/mol
Exact Mass385.13
IUPAC Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H23N3O6S/c1-3-12(2)18-16(22)19-14(20)11-25-15(21)9-10-17-26(23,24)13-7-5-4-6-8-13/h4-8,12,17H,3,9-11H2,1-2H3,(H2,18,19,20,22)/t12-/m0/s1
InChIKeyLVTKVMGHHMYFKX-LBPRGKRZSA-N
XLogP0.52
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate 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-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 8523115
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738856
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
CID 7913064
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834280
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847658
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925625
[2-(4-chloroanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574931
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841930
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806754
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
The IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate (CID 8574941) is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
The canonical SMILES for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate is CC[C@H](C)NC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
The InChIKey is LVTKVMGHHMYFKX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O6S/c1-3-12(2)18-16(22)19-14(20)11-25-15(21)9-10-17-26(23,24)13-7-5-4-6-8-13/h4-8,12,17H,3,9-11H2,1-2H3,(H2,18,19,20,22)/t12-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate has a molecular weight of 385.44 g/mol, XLogP of 0.52, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate is sourced from PubChem (CID 8574941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).