N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide

C16H17BrN2O3S — CID 47058897

IUPACN-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C16H17BrN2O3S/c1-2-22-14-6-4-3-5-13(14)16(21)19-9-15(20)18-8-12-7-11(17)10-23-12/h3-7,10H,2,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyZOAQREDXEBHBRI-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.96
Rot. Bonds7

About N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide

N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 47058897) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide
PubChem CID47058897
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C16H17BrN2O3S/c1-2-22-14-6-4-3-5-13(14)16(21)19-9-15(20)18-8-12-7-11(17)10-23-12/h3-7,10H,2,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyZOAQREDXEBHBRI-UHFFFAOYSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55801604
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 47250123
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 9314669
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 24551423
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55846935
2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
CID 9398889
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide (CID 47058897) is N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)NCc1cc(Br)cs1.
What is the InChIKey of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is ZOAQREDXEBHBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-2-22-14-6-4-3-5-13(14)16(21)19-9-15(20)18-8-12-7-11(17)10-23-12/h3-7,10H,2,8-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide?
N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 397.29 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 47058897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).