N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide

C13H11BrN2O2S — CID 94829119

IUPACN-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESNC(=O)[C@H](NC(=O)c1cccs1)c1cccc(Br)c1
InChIInChI=1S/C13H11BrN2O2S/c14-9-4-1-3-8(7-9)11(12(15)17)16-13(18)10-5-2-6-19-10/h1-7,11H,(H2,15,17)(H,16,18)/t11-/m1/s1
InChIKeyYIHYAXGUYFYIDZ-LLVKDONJSA-N
MW339.21 g/mol
LogP2.47
Rot. Bonds4

About N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide

N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 94829119) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID94829119
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC NameN-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESNC(=O)[C@H](NC(=O)c1cccs1)c1cccc(Br)c1
InChIInChI=1S/C13H11BrN2O2S/c14-9-4-1-3-8(7-9)11(12(15)17)16-13(18)10-5-2-6-19-10/h1-7,11H,(H2,15,17)(H,16,18)/t11-/m1/s1
InChIKeyYIHYAXGUYFYIDZ-LLVKDONJSA-N
XLogP2.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide (CID 94829119) is N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide is NC(=O)[C@H](NC(=O)c1cccs1)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is YIHYAXGUYFYIDZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c14-9-4-1-3-8(7-9)11(12(15)17)16-13(18)10-5-2-6-19-10/h1-7,11H,(H2,15,17)(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide?
N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 339.21 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 94829119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).