[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate

C19H23NO4S — CID 51886138

IUPAC[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate
SMILESC[C@H](OC(=O)c1ccccc1SCc1ccco1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H23NO4S/c1-13(17(21)20-19(2,3)4)24-18(22)15-9-5-6-10-16(15)25-12-14-8-7-11-23-14/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyPZGJHFTZBBNDHS-ZDUSSCGKSA-N
MW361.46 g/mol
LogP4.03
Rot. Bonds6

About [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate

[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate (PubChem CID 51886138) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate
PubChem CID51886138
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate
SMILESC[C@H](OC(=O)c1ccccc1SCc1ccco1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H23NO4S/c1-13(17(21)20-19(2,3)4)24-18(22)15-9-5-6-10-16(15)25-12-14-8-7-11-23-14/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyPZGJHFTZBBNDHS-ZDUSSCGKSA-N
XLogP4.03
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate
CID 8555280
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate
CID 8555349
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate
CID 43034807
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate
CID 8980707
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7377262
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7470534
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 18091294
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 7150002
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 9384625
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate
CID 7638445
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7809499
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 7758226

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate?
The IUPAC name of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate (CID 51886138) is [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate.
What is the SMILES notation for [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate?
The canonical SMILES for [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate is C[C@H](OC(=O)c1ccccc1SCc1ccco1)C(=O)NC(C)(C)C.
What is the InChIKey of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate?
The InChIKey is PZGJHFTZBBNDHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-13(17(21)20-19(2,3)4)24-18(22)15-9-5-6-10-16(15)25-12-14-8-7-11-23-14/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1.
What are the key properties of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate?
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate has a molecular weight of 361.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate is sourced from PubChem (CID 51886138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).