N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide

C21H19FN2O2S — CID 118246847

IUPACN-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide
SMILESC[C@H](c1ccc(F)s1)N(C(=O)c1ccccc1)[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C21H19FN2O2S/c1-14(17-12-13-18(22)27-17)24(21(26)16-10-6-3-7-11-16)19(20(23)25)15-8-4-2-5-9-15/h2-14,19H,1H3,(H2,23,25)/t14-,19+/m1/s1
InChIKeyUZRKFMGTGRPNRN-KUHUBIRLSA-N
MW382.46 g/mol
LogP4.32
Rot. Bonds6

About N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide (PubChem CID 118246847) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide
PubChem CID118246847
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide
SMILESC[C@H](c1ccc(F)s1)N(C(=O)c1ccccc1)[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C21H19FN2O2S/c1-14(17-12-13-18(22)27-17)24(21(26)16-10-6-3-7-11-16)19(20(23)25)15-8-4-2-5-9-15/h2-14,19H,1H3,(H2,23,25)/t14-,19+/m1/s1
InChIKeyUZRKFMGTGRPNRN-KUHUBIRLSA-N
XLogP4.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide?
The IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide (CID 118246847) is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide?
The canonical SMILES for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide is C[C@H](c1ccc(F)s1)N(C(=O)c1ccccc1)[C@H](C(N)=O)c1ccccc1.
What is the InChIKey of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide?
The InChIKey is UZRKFMGTGRPNRN-KUHUBIRLSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c1-14(17-12-13-18(22)27-17)24(21(26)16-10-6-3-7-11-16)19(20(23)25)15-8-4-2-5-9-15/h2-14,19H,1H3,(H2,23,25)/t14-,19+/m1/s1.
What are the key properties of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide?
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 118246847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).