[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate

C17H17BrN2O4S — CID 55419495

IUPAC[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1cccc(Br)c1)C(=O)NCc1cccs1
InChIInChI=1S/C17H17BrN2O4S/c1-11(16(22)19-9-14-6-3-7-25-14)24-15(21)10-20-17(23)12-4-2-5-13(18)8-12/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyNOLWNRSZYKMDMA-UHFFFAOYSA-N
MW425.30 g/mol
LogP2.49
Rot. Bonds7

About [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate

[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate (PubChem CID 55419495) has the molecular formula C17H17BrN2O4S and a molecular weight of 425.30 g/mol. Its IUPAC name is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
PubChem CID55419495
Molecular FormulaC17H17BrN2O4S
Molecular Weight425.30 g/mol
Exact Mass424.01
IUPAC Name[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1cccc(Br)c1)C(=O)NCc1cccs1
InChIInChI=1S/C17H17BrN2O4S/c1-11(16(22)19-9-14-6-3-7-25-14)24-15(21)10-20-17(23)12-4-2-5-13(18)8-12/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyNOLWNRSZYKMDMA-UHFFFAOYSA-N
XLogP2.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 55419450
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 46618381
[1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 46791832
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 42969052
3-bromo-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 54791822
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 55320583
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-bromo-4-methoxybenzoate
CID 9309989
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(trifluoromethyl)benzoate
CID 46629469
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 46629420
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate
CID 30978765
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-methylfuran-2-carboxylate
CID 47011570

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate?
The IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate (CID 55419495) is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate.
What is the SMILES notation for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate?
The canonical SMILES for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate is CC(OC(=O)CNC(=O)c1cccc(Br)c1)C(=O)NCc1cccs1.
What is the InChIKey of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate?
The InChIKey is NOLWNRSZYKMDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4S/c1-11(16(22)19-9-14-6-3-7-25-14)24-15(21)10-20-17(23)12-4-2-5-13(18)8-12/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate?
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate has a molecular weight of 425.30 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate is sourced from PubChem (CID 55419495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).