[2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate

C16H26N2O5S2 — CID 7977386

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
SMILESCCC(CC)NC(=O)COC(=O)[C@H](NS(=O)(=O)c1cccs1)C(C)C
InChIInChI=1S/C16H26N2O5S2/c1-5-12(6-2)17-13(19)10-23-16(20)15(11(3)4)18-25(21,22)14-8-7-9-24-14/h7-9,11-12,15,18H,5-6,10H2,1-4H3,(H,17,19)/t15-/m1/s1
InChIKeyRJXYGQUZSYLVBD-OAHLLOKOSA-N
MW390.53 g/mol
LogP1.90
Rot. Bonds10

About [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate

[2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate (PubChem CID 7977386) has the molecular formula C16H26N2O5S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
PubChem CID7977386
Molecular FormulaC16H26N2O5S2
Molecular Weight390.53 g/mol
Exact Mass390.13
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
SMILESCCC(CC)NC(=O)COC(=O)[C@H](NS(=O)(=O)c1cccs1)C(C)C
InChIInChI=1S/C16H26N2O5S2/c1-5-12(6-2)17-13(19)10-23-16(20)15(11(3)4)18-25(21,22)14-8-7-9-24-14/h7-9,11-12,15,18H,5-6,10H2,1-4H3,(H,17,19)/t15-/m1/s1
InChIKeyRJXYGQUZSYLVBD-OAHLLOKOSA-N
XLogP1.90
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate with MolForge

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Related Compounds

(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
CID 95567579
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620113
tert-butyl (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 81003022
(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
CID 61173993
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
(2R)-3-methyl-N-(3-propan-2-yloxypropyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111125
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849451
[(2S)-1-anilino-1-oxopropan-2-yl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 7977405
N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999909
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate (CID 7977386) is [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate is CCC(CC)NC(=O)COC(=O)[C@H](NS(=O)(=O)c1cccs1)C(C)C.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate?
The InChIKey is RJXYGQUZSYLVBD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O5S2/c1-5-12(6-2)17-13(19)10-23-16(20)15(11(3)4)18-25(21,22)14-8-7-9-24-14/h7-9,11-12,15,18H,5-6,10H2,1-4H3,(H,17,19)/t15-/m1/s1.
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate?
[2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate has a molecular weight of 390.53 g/mol, XLogP of 1.90, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate is sourced from PubChem (CID 7977386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).