[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate

C16H18N2O5S2 — CID 7247663

IUPAC[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate
SMILESC[C@H](NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O)c1cccs1
InChIInChI=1S/C16H18N2O5S2/c1-11(14-8-5-9-24-14)17-15(19)10-23-16(20)12-6-3-4-7-13(12)18-25(2,21)22/h3-9,11,18H,10H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyUOOXDJSBTDXITD-NSHDSACASA-N
MW382.46 g/mol
LogP2.15
Rot. Bonds7

About [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate

[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate (PubChem CID 7247663) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate
PubChem CID7247663
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate
SMILESC[C@H](NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O)c1cccs1
InChIInChI=1S/C16H18N2O5S2/c1-11(14-8-5-9-24-14)17-15(19)10-23-16(20)12-6-3-4-7-13(12)18-25(2,21)22/h3-9,11,18H,10H2,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyUOOXDJSBTDXITD-NSHDSACASA-N
XLogP2.15
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate?
The IUPAC name of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate (CID 7247663) is [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate is C[C@H](NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate?
The InChIKey is UOOXDJSBTDXITD-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-11(14-8-5-9-24-14)17-15(19)10-23-16(20)12-6-3-4-7-13(12)18-25(2,21)22/h3-9,11,18H,10H2,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate?
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate has a molecular weight of 382.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 7247663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).