propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate

C18H27FN2O3S — CID 67687442

IUPACpropan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate
SMILESCC(C)OC(=O)N(C(C)CSc1ccc(F)cc1)[C@H](C(N)=O)C(C)C
InChIInChI=1S/C18H27FN2O3S/c1-11(2)16(17(20)22)21(18(23)24-12(3)4)13(5)10-25-15-8-6-14(19)7-9-15/h6-9,11-13,16H,10H2,1-5H3,(H2,20,22)/t13?,16-/m0/s1
InChIKeyOAOABVZDPBPFJL-VYIIXAMBSA-N
MW370.49 g/mol
LogP3.66
Rot. Bonds8

About propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate

propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate (PubChem CID 67687442) has the molecular formula C18H27FN2O3S and a molecular weight of 370.49 g/mol. Its IUPAC name is propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate
PubChem CID67687442
Molecular FormulaC18H27FN2O3S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Namepropan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate
SMILESCC(C)OC(=O)N(C(C)CSc1ccc(F)cc1)[C@H](C(N)=O)C(C)C
InChIInChI=1S/C18H27FN2O3S/c1-11(2)16(17(20)22)21(18(23)24-12(3)4)13(5)10-25-15-8-6-14(19)7-9-15/h6-9,11-13,16H,10H2,1-5H3,(H2,20,22)/t13?,16-/m0/s1
InChIKeyOAOABVZDPBPFJL-VYIIXAMBSA-N
XLogP3.66
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate (CID 67687442) is propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate is CC(C)OC(=O)N(C(C)CSc1ccc(F)cc1)[C@H](C(N)=O)C(C)C.
What is the InChIKey of propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate?
The InChIKey is OAOABVZDPBPFJL-VYIIXAMBSA-N. The full InChI is InChI=1S/C18H27FN2O3S/c1-11(2)16(17(20)22)21(18(23)24-12(3)4)13(5)10-25-15-8-6-14(19)7-9-15/h6-9,11-13,16H,10H2,1-5H3,(H2,20,22)/t13?,16-/m0/s1.
What are the key properties of propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate?
propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate has a molecular weight of 370.49 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-[1-(4-fluorophenyl)sulfanylpropan-2-yl]carbamate is sourced from PubChem (CID 67687442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).